3,7-dimethyl-N,N-bis(2-methylpropyl)octan-1-amine

C18H39N — CID 170848234

IUPAC3,7-dimethyl-N,N-bis(2-methylpropyl)octan-1-amine
SMILESCC(C)CCCC(C)CCN(CC(C)C)CC(C)C
InChIInChI=1S/C18H39N/c1-15(2)9-8-10-18(7)11-12-19(13-16(3)4)14-17(5)6/h15-18H,8-14H2,1-7H3
InChIKeyUXMIPSOSOWWXIY-UHFFFAOYSA-N
MW269.52 g/mol
LogP5.45
Rot. Bonds11

About 3,7-dimethyl-N,N-bis(2-methylpropyl)octan-1-amine

3,7-dimethyl-N,N-bis(2-methylpropyl)octan-1-amine (PubChem CID 170848234) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is 3,7-dimethyl-N,N-bis(2-methylpropyl)octan-1-amine.

Molecular Properties

Compound Name3,7-dimethyl-N,N-bis(2-methylpropyl)octan-1-amine
PubChem CID170848234
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC Name3,7-dimethyl-N,N-bis(2-methylpropyl)octan-1-amine
SMILESCC(C)CCCC(C)CCN(CC(C)C)CC(C)C
InChIInChI=1S/C18H39N/c1-15(2)9-8-10-18(7)11-12-19(13-16(3)4)14-17(5)6/h15-18H,8-14H2,1-7H3
InChIKeyUXMIPSOSOWWXIY-UHFFFAOYSA-N
XLogP5.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-N,N-bis(2-methylpropyl)octan-1-amine?
The IUPAC name of 3,7-dimethyl-N,N-bis(2-methylpropyl)octan-1-amine (CID 170848234) is 3,7-dimethyl-N,N-bis(2-methylpropyl)octan-1-amine.
What is the SMILES notation for 3,7-dimethyl-N,N-bis(2-methylpropyl)octan-1-amine?
The canonical SMILES for 3,7-dimethyl-N,N-bis(2-methylpropyl)octan-1-amine is CC(C)CCCC(C)CCN(CC(C)C)CC(C)C.
What is the InChIKey of 3,7-dimethyl-N,N-bis(2-methylpropyl)octan-1-amine?
The InChIKey is UXMIPSOSOWWXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-15(2)9-8-10-18(7)11-12-19(13-16(3)4)14-17(5)6/h15-18H,8-14H2,1-7H3.
What are the key properties of 3,7-dimethyl-N,N-bis(2-methylpropyl)octan-1-amine?
3,7-dimethyl-N,N-bis(2-methylpropyl)octan-1-amine has a molecular weight of 269.52 g/mol, XLogP of 5.45, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-N,N-bis(2-methylpropyl)octan-1-amine is sourced from PubChem (CID 170848234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).