N,N,5-trimethyl-2-propylhexan-1-amine

C12H27N — CID 123395746

IUPACN,N,5-trimethyl-2-propylhexan-1-amine
SMILESCCCC(CCC(C)C)CN(C)C
InChIInChI=1S/C12H27N/c1-6-7-12(10-13(4)5)9-8-11(2)3/h11-12H,6-10H2,1-5H3
InChIKeyBXQWCNZTYIPDOG-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.40
Rot. Bonds7

About N,N,5-trimethyl-2-propylhexan-1-amine

N,N,5-trimethyl-2-propylhexan-1-amine (PubChem CID 123395746) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N,N,5-trimethyl-2-propylhexan-1-amine.

Molecular Properties

Compound NameN,N,5-trimethyl-2-propylhexan-1-amine
PubChem CID123395746
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN,N,5-trimethyl-2-propylhexan-1-amine
SMILESCCCC(CCC(C)C)CN(C)C
InChIInChI=1S/C12H27N/c1-6-7-12(10-13(4)5)9-8-11(2)3/h11-12H,6-10H2,1-5H3
InChIKeyBXQWCNZTYIPDOG-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,8-dimethyl-5-propylnonane
CID 57014492
N,N,8-trimethyl-5-propylnonan-1-amine
CID 123144577
2-[(dimethylamino)methyl]pentan-1-ol
CID 117241783
7-methyloctan-4-ylphosphanium
CID 22349017
(5R)-2-methyl-5-propylnonane
CID 162842430
ethane;2-methyl-5-propylnonane
CID 171073854
N,N-dimethyl-2-octyldodecan-1-amine
CID 21291112
N,N-dimethyl-2-nonylhenicosan-1-amine
CID 175192311
2-methyl-5-propyltridecane
CID 123255718
2-[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine
CID 547455
2-methylpentane
CID 7892
2,8-dimethyl-5-(3-methylbutyl)nonane
CID 57230829

Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-2-propylhexan-1-amine?
The IUPAC name of N,N,5-trimethyl-2-propylhexan-1-amine (CID 123395746) is N,N,5-trimethyl-2-propylhexan-1-amine.
What is the SMILES notation for N,N,5-trimethyl-2-propylhexan-1-amine?
The canonical SMILES for N,N,5-trimethyl-2-propylhexan-1-amine is CCCC(CCC(C)C)CN(C)C.
What is the InChIKey of N,N,5-trimethyl-2-propylhexan-1-amine?
The InChIKey is BXQWCNZTYIPDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-6-7-12(10-13(4)5)9-8-11(2)3/h11-12H,6-10H2,1-5H3.
What are the key properties of N,N,5-trimethyl-2-propylhexan-1-amine?
N,N,5-trimethyl-2-propylhexan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-2-propylhexan-1-amine is sourced from PubChem (CID 123395746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).