3-[(1-amino-3-methylpentan-2-yl)amino]propan-1-ol

C9H22N2O — CID 65378666

IUPAC3-[(1-amino-3-methylpentan-2-yl)amino]propan-1-ol
SMILESCCC(C)C(CN)NCCCO
InChIInChI=1S/C9H22N2O/c1-3-8(2)9(7-10)11-5-4-6-12/h8-9,11-12H,3-7,10H2,1-2H3
InChIKeyBNPFPZYSKIAEGY-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.33
Rot. Bonds7

About 3-[(1-amino-3-methylpentan-2-yl)amino]propan-1-ol

3-[(1-amino-3-methylpentan-2-yl)amino]propan-1-ol (PubChem CID 65378666) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 3-[(1-amino-3-methylpentan-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(1-amino-3-methylpentan-2-yl)amino]propan-1-ol
PubChem CID65378666
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name3-[(1-amino-3-methylpentan-2-yl)amino]propan-1-ol
SMILESCCC(C)C(CN)NCCCO
InChIInChI=1S/C9H22N2O/c1-3-8(2)9(7-10)11-5-4-6-12/h8-9,11-12H,3-7,10H2,1-2H3
InChIKeyBNPFPZYSKIAEGY-UHFFFAOYSA-N
XLogP0.33
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(1-amino-3-methylpentan-2-yl)amino]pentan-1-ol
CID 107316964
2-N-ethyl-3-methylpentane-1,2-diamine
CID 62066397
3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-1-ol
CID 115705201
2-N-dodecyl-3-methylbutane-1,2-diamine
CID 106345395
2-(3-hydroxypropylamino)-3-methylbutanamide
CID 103914237
3-(2-methylhex-5-en-3-ylamino)propan-1-ol
CID 2772048
2-(3-hydroxypropylamino)propanamide
CID 43392787
4-(propan-2-ylamino)butan-1-ol
CID 12950986
(4S)-4-[[(2R,3R)-3-methylpentan-2-yl]amino]pentan-1-ol
CID 97051592
3-(1-ethylsulfonylpropan-2-ylamino)propan-1-ol
CID 115900563
3-[[2-amino-1-(3,4,5-trimethoxyphenyl)ethyl]amino]propan-1-ol
CID 65376786
3-[2-(2-methylpentan-3-ylamino)ethylsulfanyl]propan-1-ol
CID 115717861

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-3-methylpentan-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[(1-amino-3-methylpentan-2-yl)amino]propan-1-ol (CID 65378666) is 3-[(1-amino-3-methylpentan-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(1-amino-3-methylpentan-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(1-amino-3-methylpentan-2-yl)amino]propan-1-ol is CCC(C)C(CN)NCCCO.
What is the InChIKey of 3-[(1-amino-3-methylpentan-2-yl)amino]propan-1-ol?
The InChIKey is BNPFPZYSKIAEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-3-8(2)9(7-10)11-5-4-6-12/h8-9,11-12H,3-7,10H2,1-2H3.
What are the key properties of 3-[(1-amino-3-methylpentan-2-yl)amino]propan-1-ol?
3-[(1-amino-3-methylpentan-2-yl)amino]propan-1-ol has a molecular weight of 174.29 g/mol, XLogP of 0.33, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-3-methylpentan-2-yl)amino]propan-1-ol is sourced from PubChem (CID 65378666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).