N-butyl-1-pentoxydecan-1-amine

C19H41NO — CID 172707813

IUPACN-butyl-1-pentoxydecan-1-amine
SMILESCCCCCCCCCC(NCCCC)OCCCCC
InChIInChI=1S/C19H41NO/c1-4-7-10-11-12-13-14-16-19(20-17-9-6-3)21-18-15-8-5-2/h19-20H,4-18H2,1-3H3
InChIKeyDVIDLNFMGCLCJF-UHFFFAOYSA-N
MW299.54 g/mol
LogP6.05
Rot. Bonds17

About N-butyl-1-pentoxydecan-1-amine

N-butyl-1-pentoxydecan-1-amine (PubChem CID 172707813) has the molecular formula C19H41NO and a molecular weight of 299.54 g/mol. Its IUPAC name is N-butyl-1-pentoxydecan-1-amine.

Molecular Properties

Compound NameN-butyl-1-pentoxydecan-1-amine
PubChem CID172707813
Molecular FormulaC19H41NO
Molecular Weight299.54 g/mol
Exact Mass299.32
IUPAC NameN-butyl-1-pentoxydecan-1-amine
SMILESCCCCCCCCCC(NCCCC)OCCCCC
InChIInChI=1S/C19H41NO/c1-4-7-10-11-12-13-14-16-19(20-17-9-6-3)21-18-15-8-5-2/h19-20H,4-18H2,1-3H3
InChIKeyDVIDLNFMGCLCJF-UHFFFAOYSA-N
XLogP6.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.54
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-pentoxybutan-1-amine
CID 88850312
1-decoxy-N-ethylundecan-1-amine
CID 172700916
1-decoxy-N-propylpropan-1-amine
CID 173331192
N'-(1-tridecoxypropyl)propane-1,3-diamine
CID 22412585
4-octan-2-yloxy-N-propan-2-ylbutan-1-amine
CID 55133286
6-octoxyundecane
CID 20520524
10-decoxyicosane
CID 150196888
1-(butylamino)dodecan-1-ol
CID 88517958
1-(butylamino)heptan-1-ol
CID 88518025
N-butylundecan-2-amine
CID 90035852
1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-pentoxydecan-1-amine?
The IUPAC name of N-butyl-1-pentoxydecan-1-amine (CID 172707813) is N-butyl-1-pentoxydecan-1-amine.
What is the SMILES notation for N-butyl-1-pentoxydecan-1-amine?
The canonical SMILES for N-butyl-1-pentoxydecan-1-amine is CCCCCCCCCC(NCCCC)OCCCCC.
What is the InChIKey of N-butyl-1-pentoxydecan-1-amine?
The InChIKey is DVIDLNFMGCLCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO/c1-4-7-10-11-12-13-14-16-19(20-17-9-6-3)21-18-15-8-5-2/h19-20H,4-18H2,1-3H3.
What are the key properties of N-butyl-1-pentoxydecan-1-amine?
N-butyl-1-pentoxydecan-1-amine has a molecular weight of 299.54 g/mol, XLogP of 6.05, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-pentoxydecan-1-amine is sourced from PubChem (CID 172707813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).