4-methylheptan-1-amine

C8H19N — CID 18618988

IUPAC4-methylheptan-1-amine
SMILESCCCC(C)CCCN
InChIInChI=1S/C8H19N/c1-3-5-8(2)6-4-7-9/h8H,3-7,9H2,1-2H3
InChIKeyFFAFBLIKEVZQGQ-UHFFFAOYSA-N
MW129.25 g/mol
LogP2.16
Rot. Bonds5

About 4-methylheptan-1-amine

4-methylheptan-1-amine (PubChem CID 18618988) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is 4-methylheptan-1-amine.

Molecular Properties

Compound Name4-methylheptan-1-amine
PubChem CID18618988
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name4-methylheptan-1-amine
SMILESCCCC(C)CCCN
InChIInChI=1S/C8H19N/c1-3-5-8(2)6-4-7-9/h8H,3-7,9H2,1-2H3
InChIKeyFFAFBLIKEVZQGQ-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methylheptane
CID 91413347
4-methylheptane
CID 11512
4,7-dimethyloctan-1-amine
CID 123439711
5,9-dimethyloctadecan-1-amine
CID 174923758
6-methylnonan-2-amine
CID 64502929
4-methylheptane;pentane
CID 142501546
4-methylheptane;propane
CID 142171269
4-methyltritriacontane
CID 71346224
4,13-dimethylheptadecane
CID 6430494
(4R)-4-methyldecane
CID 57191620
(4S)-4-methyltridecane
CID 24884428
4-methyloctadecane
CID 517866

Frequently Asked Questions

What is the IUPAC name of 4-methylheptan-1-amine?
The IUPAC name of 4-methylheptan-1-amine (CID 18618988) is 4-methylheptan-1-amine.
What is the SMILES notation for 4-methylheptan-1-amine?
The canonical SMILES for 4-methylheptan-1-amine is CCCC(C)CCCN.
What is the InChIKey of 4-methylheptan-1-amine?
The InChIKey is FFAFBLIKEVZQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N/c1-3-5-8(2)6-4-7-9/h8H,3-7,9H2,1-2H3.
What are the key properties of 4-methylheptan-1-amine?
4-methylheptan-1-amine has a molecular weight of 129.25 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylheptan-1-amine is sourced from PubChem (CID 18618988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).