N,3,5-trimethylhexan-2-amine

C9H21N — CID 60995864

IUPACN,3,5-trimethylhexan-2-amine
SMILESCNC(C)C(C)CC(C)C
InChIInChI=1S/C9H21N/c1-7(2)6-8(3)9(4)10-5/h7-10H,6H2,1-5H3
InChIKeyMQLNLDUMTJCCSQ-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.28
Rot. Bonds4

About N,3,5-trimethylhexan-2-amine

N,3,5-trimethylhexan-2-amine (PubChem CID 60995864) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is N,3,5-trimethylhexan-2-amine.

Molecular Properties

Compound NameN,3,5-trimethylhexan-2-amine
PubChem CID60995864
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC NameN,3,5-trimethylhexan-2-amine
SMILESCNC(C)C(C)CC(C)C
InChIInChI=1S/C9H21N/c1-7(2)6-8(3)9(4)10-5/h7-10H,6H2,1-5H3
InChIKeyMQLNLDUMTJCCSQ-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethylhexan-2-amine?
The IUPAC name of N,3,5-trimethylhexan-2-amine (CID 60995864) is N,3,5-trimethylhexan-2-amine.
What is the SMILES notation for N,3,5-trimethylhexan-2-amine?
The canonical SMILES for N,3,5-trimethylhexan-2-amine is CNC(C)C(C)CC(C)C.
What is the InChIKey of N,3,5-trimethylhexan-2-amine?
The InChIKey is MQLNLDUMTJCCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-7(2)6-8(3)9(4)10-5/h7-10H,6H2,1-5H3.
What are the key properties of N,3,5-trimethylhexan-2-amine?
N,3,5-trimethylhexan-2-amine has a molecular weight of 143.27 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethylhexan-2-amine is sourced from PubChem (CID 60995864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).