6-[[N'-[6-(diaminomethylideneamino)hexyl]carbamimidoyl]amino]heptanamide

C15H33N7O — CID 170367414

IUPAC6-[[N'-[6-(diaminomethylideneamino)hexyl]carbamimidoyl]amino]heptanamide
SMILESCC(CCCCC(N)=O)N/C(N)=N/CCCCCCN=C(N)N
InChIInChI=1S/C15H33N7O/c1-12(8-4-5-9-13(16)23)22-15(19)21-11-7-3-2-6-10-20-14(17)18/h12H,2-11H2,1H3,(H2,16,23)(H4,17,18,20)(H3,19,21,22)
InChIKeyZGXAZYAPOSVGPN-UHFFFAOYSA-N
MW327.48 g/mol
LogP0.16
Rot. Bonds13

About 6-[[N'-[6-(diaminomethylideneamino)hexyl]carbamimidoyl]amino]heptanamide

6-[[N'-[6-(diaminomethylideneamino)hexyl]carbamimidoyl]amino]heptanamide (PubChem CID 170367414) has the molecular formula C15H33N7O and a molecular weight of 327.48 g/mol. Its IUPAC name is 6-[[N'-[6-(diaminomethylideneamino)hexyl]carbamimidoyl]amino]heptanamide.

Molecular Properties

Compound Name6-[[N'-[6-(diaminomethylideneamino)hexyl]carbamimidoyl]amino]heptanamide
PubChem CID170367414
Molecular FormulaC15H33N7O
Molecular Weight327.48 g/mol
Exact Mass327.27
IUPAC Name6-[[N'-[6-(diaminomethylideneamino)hexyl]carbamimidoyl]amino]heptanamide
SMILESCC(CCCCC(N)=O)N/C(N)=N/CCCCCCN=C(N)N
InChIInChI=1S/C15H33N7O/c1-12(8-4-5-9-13(16)23)22-15(19)21-11-7-3-2-6-10-20-14(17)18/h12H,2-11H2,1H3,(H2,16,23)(H4,17,18,20)(H3,19,21,22)
InChIKeyZGXAZYAPOSVGPN-UHFFFAOYSA-N
XLogP0.16
TPSA157.90 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 50.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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

5-[[amino-(hydroxyamino)methylidene]amino]pentanamide
CID 106241334
2-[16-(methylamino)-17-oxooctadecyl]guanidine
CID 149014155
N-[3-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]propyl]-2-methylpropanamide
CID 109467765
2-[(4R)-4-(methylamino)pentyl]guanidine
CID 59032682
tert-butyl 7-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]heptanoate;hydroiodide
CID 111811333
N-[1-(diaminomethylideneamino)-6-oxononan-5-yl]dodecanamide
CID 147790356
(2S)-2-acetamido-5-(diaminomethylideneamino)-N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)pentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
CID 155357209
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-6-(diaminomethylideneamino)hexanoyl]amino]-7-aminoheptanoyl]amino]-7-aminoheptanoyl]amino]-6-(diaminomethylideneamino)hexanoyl]amino]-6-(diaminomethylideneamino)hexanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-6-(diaminomethylideneamino)-1-oxohexan-2-yl]amino]-6-(diaminomethylideneamino)-1-oxohexan-2-yl]amino]-6-(diaminomethylideneamino)-1-oxohexan-2-yl]hexanediamide
CID 132572512
21-methyldotetracontanediamide
CID 87333254
5-(diaminomethylideneamino)-N-methylpentanamide
CID 122591455
2-amino-5-(diaminomethylideneamino)pentanoic acid;10-hydroxyundecanoic acid
CID 19069479
5-(diaminomethylideneamino)-N-(2-octyldecyl)pentanamide
CID 139836172

Frequently Asked Questions

What is the IUPAC name of 6-[[N'-[6-(diaminomethylideneamino)hexyl]carbamimidoyl]amino]heptanamide?
The IUPAC name of 6-[[N'-[6-(diaminomethylideneamino)hexyl]carbamimidoyl]amino]heptanamide (CID 170367414) is 6-[[N'-[6-(diaminomethylideneamino)hexyl]carbamimidoyl]amino]heptanamide.
What is the SMILES notation for 6-[[N'-[6-(diaminomethylideneamino)hexyl]carbamimidoyl]amino]heptanamide?
The canonical SMILES for 6-[[N'-[6-(diaminomethylideneamino)hexyl]carbamimidoyl]amino]heptanamide is CC(CCCCC(N)=O)N/C(N)=N/CCCCCCN=C(N)N.
What is the InChIKey of 6-[[N'-[6-(diaminomethylideneamino)hexyl]carbamimidoyl]amino]heptanamide?
The InChIKey is ZGXAZYAPOSVGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N7O/c1-12(8-4-5-9-13(16)23)22-15(19)21-11-7-3-2-6-10-20-14(17)18/h12H,2-11H2,1H3,(H2,16,23)(H4,17,18,20)(H3,19,21,22).
What are the key properties of 6-[[N'-[6-(diaminomethylideneamino)hexyl]carbamimidoyl]amino]heptanamide?
6-[[N'-[6-(diaminomethylideneamino)hexyl]carbamimidoyl]amino]heptanamide has a molecular weight of 327.48 g/mol, XLogP of 0.16, 13 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[N'-[6-(diaminomethylideneamino)hexyl]carbamimidoyl]amino]heptanamide is sourced from PubChem (CID 170367414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).