N,N-bis(2-methylpropyl)dodecan-1-amine

C20H43N — CID 14389650

IUPACN,N-bis(2-methylpropyl)dodecan-1-amine
SMILESCCCCCCCCCCCCN(CC(C)C)CC(C)C
InChIInChI=1S/C20H43N/c1-6-7-8-9-10-11-12-13-14-15-16-21(17-19(2)3)18-20(4)5/h19-20H,6-18H2,1-5H3
InChIKeyCXHKRLBPORFDTI-UHFFFAOYSA-N
MW297.57 g/mol
LogP6.52
Rot. Bonds15

About N,N-bis(2-methylpropyl)dodecan-1-amine

N,N-bis(2-methylpropyl)dodecan-1-amine (PubChem CID 14389650) has the molecular formula C20H43N and a molecular weight of 297.57 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)dodecan-1-amine.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)dodecan-1-amine
PubChem CID14389650
Molecular FormulaC20H43N
Molecular Weight297.57 g/mol
Exact Mass297.34
IUPAC NameN,N-bis(2-methylpropyl)dodecan-1-amine
SMILESCCCCCCCCCCCCN(CC(C)C)CC(C)C
InChIInChI=1S/C20H43N/c1-6-7-8-9-10-11-12-13-14-15-16-21(17-19(2)3)18-20(4)5/h19-20H,6-18H2,1-5H3
InChIKeyCXHKRLBPORFDTI-UHFFFAOYSA-N
XLogP6.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.57
LogP ≤ 56.52
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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Related Compounds

N,N-bis(2-methylpropyl)octan-1-amine
CID 3790364
N,N-bis(2-methylpropyl)decan-1-amine
CID 11265686
N-heptyl-N-(2-methylpropyl)octan-1-amine
CID 6425714
N-hexyl-N-(2-methylpropyl)hexan-1-amine
CID 54055603
11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine
CID 139722518
N-heptadecyl-N-(11-methyldodecyl)heptadecan-1-amine
CID 139723018
N,N-di(heptadecyl)-16-methylheptadecan-1-amine
CID 139722751
13-methyl-N-(13-methyltetradecyl)-N-tetradecyltetradecan-1-amine
CID 139723818
N-(3-methylbutyl)-N-octadecyloctadecan-1-amine
CID 139724073
N,N-bis(10-methylundecyl)hexadecan-1-amine
CID 139723319
N,N-dihexyl-12-methyltridecan-1-amine
CID 139723652
15-methyl-N,N-di(pentadecyl)hexadecan-1-amine
CID 139722859

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)dodecan-1-amine?
The IUPAC name of N,N-bis(2-methylpropyl)dodecan-1-amine (CID 14389650) is N,N-bis(2-methylpropyl)dodecan-1-amine.
What is the SMILES notation for N,N-bis(2-methylpropyl)dodecan-1-amine?
The canonical SMILES for N,N-bis(2-methylpropyl)dodecan-1-amine is CCCCCCCCCCCCN(CC(C)C)CC(C)C.
What is the InChIKey of N,N-bis(2-methylpropyl)dodecan-1-amine?
The InChIKey is CXHKRLBPORFDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N/c1-6-7-8-9-10-11-12-13-14-15-16-21(17-19(2)3)18-20(4)5/h19-20H,6-18H2,1-5H3.
What are the key properties of N,N-bis(2-methylpropyl)dodecan-1-amine?
N,N-bis(2-methylpropyl)dodecan-1-amine has a molecular weight of 297.57 g/mol, XLogP of 6.52, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)dodecan-1-amine is sourced from PubChem (CID 14389650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).