2,5,5-trimethyl-3-propan-2-ylhexan-3-amine

C12H27N — CID 167343931

IUPAC2,5,5-trimethyl-3-propan-2-ylhexan-3-amine
SMILESCC(C)C(N)(CC(C)(C)C)C(C)C
InChIInChI=1S/C12H27N/c1-9(2)12(13,10(3)4)8-11(5,6)7/h9-10H,8,13H2,1-7H3
InChIKeyWQUIXKKEJKHJQE-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.43
Rot. Bonds3

About 2,5,5-trimethyl-3-propan-2-ylhexan-3-amine

2,5,5-trimethyl-3-propan-2-ylhexan-3-amine (PubChem CID 167343931) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 2,5,5-trimethyl-3-propan-2-ylhexan-3-amine.

Molecular Properties

Compound Name2,5,5-trimethyl-3-propan-2-ylhexan-3-amine
PubChem CID167343931
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name2,5,5-trimethyl-3-propan-2-ylhexan-3-amine
SMILESCC(C)C(N)(CC(C)(C)C)C(C)C
InChIInChI=1S/C12H27N/c1-9(2)12(13,10(3)4)8-11(5,6)7/h9-10H,8,13H2,1-7H3
InChIKeyWQUIXKKEJKHJQE-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-3-propan-2-ylhexan-3-amine?
The IUPAC name of 2,5,5-trimethyl-3-propan-2-ylhexan-3-amine (CID 167343931) is 2,5,5-trimethyl-3-propan-2-ylhexan-3-amine.
What is the SMILES notation for 2,5,5-trimethyl-3-propan-2-ylhexan-3-amine?
The canonical SMILES for 2,5,5-trimethyl-3-propan-2-ylhexan-3-amine is CC(C)C(N)(CC(C)(C)C)C(C)C.
What is the InChIKey of 2,5,5-trimethyl-3-propan-2-ylhexan-3-amine?
The InChIKey is WQUIXKKEJKHJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-9(2)12(13,10(3)4)8-11(5,6)7/h9-10H,8,13H2,1-7H3.
What are the key properties of 2,5,5-trimethyl-3-propan-2-ylhexan-3-amine?
2,5,5-trimethyl-3-propan-2-ylhexan-3-amine has a molecular weight of 185.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-3-propan-2-ylhexan-3-amine is sourced from PubChem (CID 167343931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).