3,5,5-trimethyl-N,N-di(propan-2-yl)hexan-1-amine

C15H33N — CID 20687221

IUPAC3,5,5-trimethyl-N,N-di(propan-2-yl)hexan-1-amine
SMILESCC(CCN(C(C)C)C(C)C)CC(C)(C)C
InChIInChI=1S/C15H33N/c1-12(2)16(13(3)4)10-9-14(5)11-15(6,7)8/h12-14H,9-11H2,1-8H3
InChIKeyQWGCMRYMOWQLKT-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.57
Rot. Bonds6

About 3,5,5-trimethyl-N,N-di(propan-2-yl)hexan-1-amine

3,5,5-trimethyl-N,N-di(propan-2-yl)hexan-1-amine (PubChem CID 20687221) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is 3,5,5-trimethyl-N,N-di(propan-2-yl)hexan-1-amine.

Molecular Properties

Compound Name3,5,5-trimethyl-N,N-di(propan-2-yl)hexan-1-amine
PubChem CID20687221
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Name3,5,5-trimethyl-N,N-di(propan-2-yl)hexan-1-amine
SMILESCC(CCN(C(C)C)C(C)C)CC(C)(C)C
InChIInChI=1S/C15H33N/c1-12(2)16(13(3)4)10-9-14(5)11-15(6,7)8/h12-14H,9-11H2,1-8H3
InChIKeyQWGCMRYMOWQLKT-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-N,N-di(propan-2-yl)hexan-1-amine?
The IUPAC name of 3,5,5-trimethyl-N,N-di(propan-2-yl)hexan-1-amine (CID 20687221) is 3,5,5-trimethyl-N,N-di(propan-2-yl)hexan-1-amine.
What is the SMILES notation for 3,5,5-trimethyl-N,N-di(propan-2-yl)hexan-1-amine?
The canonical SMILES for 3,5,5-trimethyl-N,N-di(propan-2-yl)hexan-1-amine is CC(CCN(C(C)C)C(C)C)CC(C)(C)C.
What is the InChIKey of 3,5,5-trimethyl-N,N-di(propan-2-yl)hexan-1-amine?
The InChIKey is QWGCMRYMOWQLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-12(2)16(13(3)4)10-9-14(5)11-15(6,7)8/h12-14H,9-11H2,1-8H3.
What are the key properties of 3,5,5-trimethyl-N,N-di(propan-2-yl)hexan-1-amine?
3,5,5-trimethyl-N,N-di(propan-2-yl)hexan-1-amine has a molecular weight of 227.44 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-N,N-di(propan-2-yl)hexan-1-amine is sourced from PubChem (CID 20687221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).