2-amino-6-(diaminomethylideneamino)-N-[1-(4-methoxyphenyl)propan-2-yl]hexanamide

C17H29N5O2 — CID 59582141

IUPAC2-amino-6-(diaminomethylideneamino)-N-[1-(4-methoxyphenyl)propan-2-yl]hexanamide
SMILESCOc1ccc(CC(C)NC(=O)C(N)CCCCN=C(N)N)cc1
InChIInChI=1S/C17H29N5O2/c1-12(11-13-6-8-14(24-2)9-7-13)22-16(23)15(18)5-3-4-10-21-17(19)20/h6-9,12,15H,3-5,10-11,18H2,1-2H3,(H,22,23)(H4,19,20,21)
InChIKeyPFWZDYKSHNWYPC-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.51
Rot. Bonds10

About 2-amino-6-(diaminomethylideneamino)-N-[1-(4-methoxyphenyl)propan-2-yl]hexanamide

2-amino-6-(diaminomethylideneamino)-N-[1-(4-methoxyphenyl)propan-2-yl]hexanamide (PubChem CID 59582141) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-amino-6-(diaminomethylideneamino)-N-[1-(4-methoxyphenyl)propan-2-yl]hexanamide.

Molecular Properties

Compound Name2-amino-6-(diaminomethylideneamino)-N-[1-(4-methoxyphenyl)propan-2-yl]hexanamide
PubChem CID59582141
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name2-amino-6-(diaminomethylideneamino)-N-[1-(4-methoxyphenyl)propan-2-yl]hexanamide
SMILESCOc1ccc(CC(C)NC(=O)C(N)CCCCN=C(N)N)cc1
InChIInChI=1S/C17H29N5O2/c1-12(11-13-6-8-14(24-2)9-7-13)22-16(23)15(18)5-3-4-10-21-17(19)20/h6-9,12,15H,3-5,10-11,18H2,1-2H3,(H,22,23)(H4,19,20,21)
InChIKeyPFWZDYKSHNWYPC-UHFFFAOYSA-N
XLogP0.51
TPSA128.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-(diaminomethylideneamino)-N-(1-phenylpropan-2-yl)hexanamide;oxalic acid
CID 25156206
2-amino-6-(diaminomethylideneamino)-N-(1-phenylpropan-2-yl)hexanamide;benzoic acid
CID 25156493
2-amino-6-(diaminomethylideneamino)-N-(1-phenylpropan-2-yl)hexanamide;2-hydroxybutanedioic acid
CID 25156490
(2R)-3-(4-acetyloxyphenyl)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoic acid
CID 95048822
methyl (2R)-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoate
CID 21120435
2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 13017549
(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 145453732
(2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide;dihydrochloride
CID 76973395
(2S)-2-[[(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid
CID 6427031
(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 102081522
(2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-(4-methoxyphenyl)-2-(phenyliminocarbamoylamino)propanoyl]amino]pentanoic acid
CID 69203193
2-[1-(4-methoxyphenyl)propan-2-ylamino]oxyacetamide
CID 112672774

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(diaminomethylideneamino)-N-[1-(4-methoxyphenyl)propan-2-yl]hexanamide?
The IUPAC name of 2-amino-6-(diaminomethylideneamino)-N-[1-(4-methoxyphenyl)propan-2-yl]hexanamide (CID 59582141) is 2-amino-6-(diaminomethylideneamino)-N-[1-(4-methoxyphenyl)propan-2-yl]hexanamide.
What is the SMILES notation for 2-amino-6-(diaminomethylideneamino)-N-[1-(4-methoxyphenyl)propan-2-yl]hexanamide?
The canonical SMILES for 2-amino-6-(diaminomethylideneamino)-N-[1-(4-methoxyphenyl)propan-2-yl]hexanamide is COc1ccc(CC(C)NC(=O)C(N)CCCCN=C(N)N)cc1.
What is the InChIKey of 2-amino-6-(diaminomethylideneamino)-N-[1-(4-methoxyphenyl)propan-2-yl]hexanamide?
The InChIKey is PFWZDYKSHNWYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-12(11-13-6-8-14(24-2)9-7-13)22-16(23)15(18)5-3-4-10-21-17(19)20/h6-9,12,15H,3-5,10-11,18H2,1-2H3,(H,22,23)(H4,19,20,21).
What are the key properties of 2-amino-6-(diaminomethylideneamino)-N-[1-(4-methoxyphenyl)propan-2-yl]hexanamide?
2-amino-6-(diaminomethylideneamino)-N-[1-(4-methoxyphenyl)propan-2-yl]hexanamide has a molecular weight of 335.45 g/mol, XLogP of 0.51, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(diaminomethylideneamino)-N-[1-(4-methoxyphenyl)propan-2-yl]hexanamide is sourced from PubChem (CID 59582141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).