2,6-diamino-1-[2-(2-aminopropyl)phenyl]hexan-1-one

C15H25N3O — CID 175054462

IUPAC2,6-diamino-1-[2-(2-aminopropyl)phenyl]hexan-1-one
SMILESCC(N)Cc1ccccc1C(=O)C(N)CCCCN
InChIInChI=1S/C15H25N3O/c1-11(17)10-12-6-2-3-7-13(12)15(19)14(18)8-4-5-9-16/h2-3,6-7,11,14H,4-5,8-10,16-18H2,1H3
InChIKeyUAXJNDVOPGKZCF-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.22
Rot. Bonds8

About 2,6-diamino-1-[2-(2-aminopropyl)phenyl]hexan-1-one

2,6-diamino-1-[2-(2-aminopropyl)phenyl]hexan-1-one (PubChem CID 175054462) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2,6-diamino-1-[2-(2-aminopropyl)phenyl]hexan-1-one.

Molecular Properties

Compound Name2,6-diamino-1-[2-(2-aminopropyl)phenyl]hexan-1-one
PubChem CID175054462
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2,6-diamino-1-[2-(2-aminopropyl)phenyl]hexan-1-one
SMILESCC(N)Cc1ccccc1C(=O)C(N)CCCCN
InChIInChI=1S/C15H25N3O/c1-11(17)10-12-6-2-3-7-13(12)15(19)14(18)8-4-5-9-16/h2-3,6-7,11,14H,4-5,8-10,16-18H2,1H3
InChIKeyUAXJNDVOPGKZCF-UHFFFAOYSA-N
XLogP1.22
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-2-aminopropyl]benzoic acid
CID 20581914
deuterio (2S)-2,6-diaminohexanoate;1-phenylpropan-2-amine
CID 172689330
4-[2-(2-aminopropyl)phenyl]butan-1-amine
CID 66940380
(2S)-2,6-diamino-N-[1-(2-hydroxyphenyl)propan-2-yl]hexanamide
CID 156568497
[2-(2-aminopropyl)phenyl]-phenylmethanone
CID 130367835
(2S)-2,6-diaminohexanoic acid;[2-(2-methylpropyl)phenyl] propanoate
CID 70561676
(2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide;dihydrochloride
CID 76973395
deuterio (2S)-2,6-diaminohexanoate;methanesulfonic acid;1-phenylpropan-2-amine
CID 172706210
(2S)-2,6-diaminohexanoic acid;2-phenylpropanoic acid
CID 175701215
S-[[2-[[(2S)-2,6-diaminohexanoyl]sulfanylmethyl]phenyl]methyl] (2S)-2-aminoheptanethioate
CID 122664152
2-[[2-(2,6-diaminohexanoylamino)-3-phenylpropanoyl]amino]propanoic acid
CID 18222554
[2-[(2S)-2-aminopropyl]phenyl]methanol
CID 130643067

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-1-[2-(2-aminopropyl)phenyl]hexan-1-one?
The IUPAC name of 2,6-diamino-1-[2-(2-aminopropyl)phenyl]hexan-1-one (CID 175054462) is 2,6-diamino-1-[2-(2-aminopropyl)phenyl]hexan-1-one.
What is the SMILES notation for 2,6-diamino-1-[2-(2-aminopropyl)phenyl]hexan-1-one?
The canonical SMILES for 2,6-diamino-1-[2-(2-aminopropyl)phenyl]hexan-1-one is CC(N)Cc1ccccc1C(=O)C(N)CCCCN.
What is the InChIKey of 2,6-diamino-1-[2-(2-aminopropyl)phenyl]hexan-1-one?
The InChIKey is UAXJNDVOPGKZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(17)10-12-6-2-3-7-13(12)15(19)14(18)8-4-5-9-16/h2-3,6-7,11,14H,4-5,8-10,16-18H2,1H3.
What are the key properties of 2,6-diamino-1-[2-(2-aminopropyl)phenyl]hexan-1-one?
2,6-diamino-1-[2-(2-aminopropyl)phenyl]hexan-1-one has a molecular weight of 263.38 g/mol, XLogP of 1.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-1-[2-(2-aminopropyl)phenyl]hexan-1-one is sourced from PubChem (CID 175054462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).