2-methyl-N-prop-2-enylpentan-3-amine

C9H19N — CID 43755389

IUPAC2-methyl-N-prop-2-enylpentan-3-amine
SMILESC=CCNC(CC)C(C)C
InChIInChI=1S/C9H19N/c1-5-7-10-9(6-2)8(3)4/h5,8-10H,1,6-7H2,2-4H3
InChIKeyILHVIRWFVDTLBI-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.20
Rot. Bonds5

About 2-methyl-N-prop-2-enylpentan-3-amine

2-methyl-N-prop-2-enylpentan-3-amine (PubChem CID 43755389) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enylpentan-3-amine.

Molecular Properties

Compound Name2-methyl-N-prop-2-enylpentan-3-amine
PubChem CID43755389
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name2-methyl-N-prop-2-enylpentan-3-amine
SMILESC=CCNC(CC)C(C)C
InChIInChI=1S/C9H19N/c1-5-7-10-9(6-2)8(3)4/h5,8-10H,1,6-7H2,2-4H3
InChIKeyILHVIRWFVDTLBI-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-enylpentan-3-amine?
The IUPAC name of 2-methyl-N-prop-2-enylpentan-3-amine (CID 43755389) is 2-methyl-N-prop-2-enylpentan-3-amine.
What is the SMILES notation for 2-methyl-N-prop-2-enylpentan-3-amine?
The canonical SMILES for 2-methyl-N-prop-2-enylpentan-3-amine is C=CCNC(CC)C(C)C.
What is the InChIKey of 2-methyl-N-prop-2-enylpentan-3-amine?
The InChIKey is ILHVIRWFVDTLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-5-7-10-9(6-2)8(3)4/h5,8-10H,1,6-7H2,2-4H3.
What are the key properties of 2-methyl-N-prop-2-enylpentan-3-amine?
2-methyl-N-prop-2-enylpentan-3-amine has a molecular weight of 141.26 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-enylpentan-3-amine is sourced from PubChem (CID 43755389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).