N-butyl-6,7,10,11-tetramethyldodecan-4-amine

C20H43N — CID 20520383

IUPACN-butyl-6,7,10,11-tetramethyldodecan-4-amine
SMILESCCCCNC(CCC)CC(C)C(C)CCC(C)C(C)C
InChIInChI=1S/C20H43N/c1-8-10-14-21-20(11-9-2)15-19(7)18(6)13-12-17(5)16(3)4/h16-21H,8-15H2,1-7H3
InChIKeyUPAVAARJZUWWPN-UHFFFAOYSA-N
MW297.57 g/mol
LogP6.28
Rot. Bonds13

About N-butyl-6,7,10,11-tetramethyldodecan-4-amine

N-butyl-6,7,10,11-tetramethyldodecan-4-amine (PubChem CID 20520383) has the molecular formula C20H43N and a molecular weight of 297.57 g/mol. Its IUPAC name is N-butyl-6,7,10,11-tetramethyldodecan-4-amine.

Molecular Properties

Compound NameN-butyl-6,7,10,11-tetramethyldodecan-4-amine
PubChem CID20520383
Molecular FormulaC20H43N
Molecular Weight297.57 g/mol
Exact Mass297.34
IUPAC NameN-butyl-6,7,10,11-tetramethyldodecan-4-amine
SMILESCCCCNC(CCC)CC(C)C(C)CCC(C)C(C)C
InChIInChI=1S/C20H43N/c1-8-10-14-21-20(11-9-2)15-19(7)18(6)13-12-17(5)16(3)4/h16-21H,8-15H2,1-7H3
InChIKeyUPAVAARJZUWWPN-UHFFFAOYSA-N
XLogP6.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.57
LogP ≤ 56.28
H-Bond Donors ≤ 51
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-butyl-6,7,10,11-tetramethyldodecan-4-amine?
The IUPAC name of N-butyl-6,7,10,11-tetramethyldodecan-4-amine (CID 20520383) is N-butyl-6,7,10,11-tetramethyldodecan-4-amine.
What is the SMILES notation for N-butyl-6,7,10,11-tetramethyldodecan-4-amine?
The canonical SMILES for N-butyl-6,7,10,11-tetramethyldodecan-4-amine is CCCCNC(CCC)CC(C)C(C)CCC(C)C(C)C.
What is the InChIKey of N-butyl-6,7,10,11-tetramethyldodecan-4-amine?
The InChIKey is UPAVAARJZUWWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N/c1-8-10-14-21-20(11-9-2)15-19(7)18(6)13-12-17(5)16(3)4/h16-21H,8-15H2,1-7H3.
What are the key properties of N-butyl-6,7,10,11-tetramethyldodecan-4-amine?
N-butyl-6,7,10,11-tetramethyldodecan-4-amine has a molecular weight of 297.57 g/mol, XLogP of 6.28, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6,7,10,11-tetramethyldodecan-4-amine is sourced from PubChem (CID 20520383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).