2-methyl-5-(nonan-2-ylamino)pentan-1-ol

C15H33NO — CID 104862242

IUPAC2-methyl-5-(nonan-2-ylamino)pentan-1-ol
SMILESCCCCCCCC(C)NCCCC(C)CO
InChIInChI=1S/C15H33NO/c1-4-5-6-7-8-11-15(3)16-12-9-10-14(2)13-17/h14-17H,4-13H2,1-3H3
InChIKeyKZCFYFKXAXPEFP-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.73
Rot. Bonds12

About 2-methyl-5-(nonan-2-ylamino)pentan-1-ol

2-methyl-5-(nonan-2-ylamino)pentan-1-ol (PubChem CID 104862242) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 2-methyl-5-(nonan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-(nonan-2-ylamino)pentan-1-ol
PubChem CID104862242
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name2-methyl-5-(nonan-2-ylamino)pentan-1-ol
SMILESCCCCCCCC(C)NCCCC(C)CO
InChIInChI=1S/C15H33NO/c1-4-5-6-7-8-11-15(3)16-12-9-10-14(2)13-17/h14-17H,4-13H2,1-3H3
InChIKeyKZCFYFKXAXPEFP-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-heptan-2-yldodecan-1-amine
CID 63491878
N-butylundecan-2-amine
CID 90035852
N-octan-2-ylundecan-1-amine
CID 150124606
2-methylhexadecan-1-ol
CID 17218
(2R)-2-methyloctadecan-1-ol
CID 122453872
(4R)-4-(octylamino)pentan-1-ol
CID 98118615
N-propylnonan-2-amine
CID 43129664
2,6-dimethyldodecan-1-ol
CID 14392571
3-(octylamino)butan-1-ol
CID 83177243
(2S)-2-(hexylamino)propan-1-ol
CID 88509072

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(nonan-2-ylamino)pentan-1-ol?
The IUPAC name of 2-methyl-5-(nonan-2-ylamino)pentan-1-ol (CID 104862242) is 2-methyl-5-(nonan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-5-(nonan-2-ylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-5-(nonan-2-ylamino)pentan-1-ol is CCCCCCCC(C)NCCCC(C)CO.
What is the InChIKey of 2-methyl-5-(nonan-2-ylamino)pentan-1-ol?
The InChIKey is KZCFYFKXAXPEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-4-5-6-7-8-11-15(3)16-12-9-10-14(2)13-17/h14-17H,4-13H2,1-3H3.
What are the key properties of 2-methyl-5-(nonan-2-ylamino)pentan-1-ol?
2-methyl-5-(nonan-2-ylamino)pentan-1-ol has a molecular weight of 243.43 g/mol, XLogP of 3.73, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(nonan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 104862242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).