N,N-di(propan-2-yl)dodecan-1-amine

C18H39N — CID 19003862

IUPACN,N-di(propan-2-yl)dodecan-1-amine
SMILESCCCCCCCCCCCCN(C(C)C)C(C)C
InChIInChI=1S/C18H39N/c1-6-7-8-9-10-11-12-13-14-15-16-19(17(2)3)18(4)5/h17-18H,6-16H2,1-5H3
InChIKeyUCTLSGRLXPPMGW-UHFFFAOYSA-N
MW269.52 g/mol
LogP6.03
Rot. Bonds13

About N,N-di(propan-2-yl)dodecan-1-amine

N,N-di(propan-2-yl)dodecan-1-amine (PubChem CID 19003862) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is N,N-di(propan-2-yl)dodecan-1-amine.

Molecular Properties

Compound NameN,N-di(propan-2-yl)dodecan-1-amine
PubChem CID19003862
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC NameN,N-di(propan-2-yl)dodecan-1-amine
SMILESCCCCCCCCCCCCN(C(C)C)C(C)C
InChIInChI=1S/C18H39N/c1-6-7-8-9-10-11-12-13-14-15-16-19(17(2)3)18(4)5/h17-18H,6-16H2,1-5H3
InChIKeyUCTLSGRLXPPMGW-UHFFFAOYSA-N
XLogP6.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)dodecan-1-amine?
The IUPAC name of N,N-di(propan-2-yl)dodecan-1-amine (CID 19003862) is N,N-di(propan-2-yl)dodecan-1-amine.
What is the SMILES notation for N,N-di(propan-2-yl)dodecan-1-amine?
The canonical SMILES for N,N-di(propan-2-yl)dodecan-1-amine is CCCCCCCCCCCCN(C(C)C)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)dodecan-1-amine?
The InChIKey is UCTLSGRLXPPMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-6-7-8-9-10-11-12-13-14-15-16-19(17(2)3)18(4)5/h17-18H,6-16H2,1-5H3.
What are the key properties of N,N-di(propan-2-yl)dodecan-1-amine?
N,N-di(propan-2-yl)dodecan-1-amine has a molecular weight of 269.52 g/mol, XLogP of 6.03, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)dodecan-1-amine is sourced from PubChem (CID 19003862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).