4,4,5-trimethylheptan-2-amine

C10H23N — CID 79446390

IUPAC4,4,5-trimethylheptan-2-amine
SMILESCCC(C)C(C)(C)CC(C)N
InChIInChI=1S/C10H23N/c1-6-8(2)10(4,5)7-9(3)11/h8-9H,6-7,11H2,1-5H3
InChIKeyPMIRNUFCTGXPKC-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.80
Rot. Bonds4

About 4,4,5-trimethylheptan-2-amine

4,4,5-trimethylheptan-2-amine (PubChem CID 79446390) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is 4,4,5-trimethylheptan-2-amine.

Molecular Properties

Compound Name4,4,5-trimethylheptan-2-amine
PubChem CID79446390
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name4,4,5-trimethylheptan-2-amine
SMILESCCC(C)C(C)(C)CC(C)N
InChIInChI=1S/C10H23N/c1-6-8(2)10(4,5)7-9(3)11/h8-9H,6-7,11H2,1-5H3
InChIKeyPMIRNUFCTGXPKC-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4,5-trimethyl-2-methylsulfanylheptane
CID 167264547
4,4,5-trimethyl-N-propylheptan-2-amine
CID 79446561
(4S)-2-methylpentane-2,4-diamine
CID 55284810
(2R)-4,4-dimethylpentan-2-amine;hydrochloride
CID 164901043
2,4,4,5-tetramethylheptan-2-ol
CID 123728080
1-fluoro-3,3,4-trimethylhexane
CID 123778940
2,5,5,6-tetramethyloctane
CID 53424276
butan-2-amine;(2R)-butan-2-amine;methane
CID 160926504
2,3-dimethylpentan-2-yl(trimethyl)-λ4-sulfane
CID 146190296
5-bromo-4,4-dimethylpentan-2-amine
CID 126606470
4-amino-2,2-dimethylpentane-1-thiol
CID 89113826
2,3-dimethylpentane-1,2-diamine
CID 130336484

Frequently Asked Questions

What is the IUPAC name of 4,4,5-trimethylheptan-2-amine?
The IUPAC name of 4,4,5-trimethylheptan-2-amine (CID 79446390) is 4,4,5-trimethylheptan-2-amine.
What is the SMILES notation for 4,4,5-trimethylheptan-2-amine?
The canonical SMILES for 4,4,5-trimethylheptan-2-amine is CCC(C)C(C)(C)CC(C)N.
What is the InChIKey of 4,4,5-trimethylheptan-2-amine?
The InChIKey is PMIRNUFCTGXPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N/c1-6-8(2)10(4,5)7-9(3)11/h8-9H,6-7,11H2,1-5H3.
What are the key properties of 4,4,5-trimethylheptan-2-amine?
4,4,5-trimethylheptan-2-amine has a molecular weight of 157.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trimethylheptan-2-amine is sourced from PubChem (CID 79446390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).