N-methyl-3-methylidene-N-propyl-6-pyrrolidin-1-ylhexan-1-amine

C15H30N2 — CID 142283588

IUPACN-methyl-3-methylidene-N-propyl-6-pyrrolidin-1-ylhexan-1-amine
SMILESC=C(CCCN1CCCC1)CCN(C)CCC
InChIInChI=1S/C15H30N2/c1-4-10-16(3)14-9-15(2)8-7-13-17-11-5-6-12-17/h2,4-14H2,1,3H3
InChIKeyKPHLOXHRAXTMLF-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.15
Rot. Bonds9

About N-methyl-3-methylidene-N-propyl-6-pyrrolidin-1-ylhexan-1-amine

N-methyl-3-methylidene-N-propyl-6-pyrrolidin-1-ylhexan-1-amine (PubChem CID 142283588) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-methyl-3-methylidene-N-propyl-6-pyrrolidin-1-ylhexan-1-amine.

Molecular Properties

Compound NameN-methyl-3-methylidene-N-propyl-6-pyrrolidin-1-ylhexan-1-amine
PubChem CID142283588
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-methyl-3-methylidene-N-propyl-6-pyrrolidin-1-ylhexan-1-amine
SMILESC=C(CCCN1CCCC1)CCN(C)CCC
InChIInChI=1S/C15H30N2/c1-4-10-16(3)14-9-15(2)8-7-13-17-11-5-6-12-17/h2,4-14H2,1,3H3
InChIKeyKPHLOXHRAXTMLF-UHFFFAOYSA-N
XLogP3.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-methyl-3-methylidene-N-propyl-6-pyrrolidin-1-ylhexan-1-amine?
The IUPAC name of N-methyl-3-methylidene-N-propyl-6-pyrrolidin-1-ylhexan-1-amine (CID 142283588) is N-methyl-3-methylidene-N-propyl-6-pyrrolidin-1-ylhexan-1-amine.
What is the SMILES notation for N-methyl-3-methylidene-N-propyl-6-pyrrolidin-1-ylhexan-1-amine?
The canonical SMILES for N-methyl-3-methylidene-N-propyl-6-pyrrolidin-1-ylhexan-1-amine is C=C(CCCN1CCCC1)CCN(C)CCC.
What is the InChIKey of N-methyl-3-methylidene-N-propyl-6-pyrrolidin-1-ylhexan-1-amine?
The InChIKey is KPHLOXHRAXTMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-10-16(3)14-9-15(2)8-7-13-17-11-5-6-12-17/h2,4-14H2,1,3H3.
What are the key properties of N-methyl-3-methylidene-N-propyl-6-pyrrolidin-1-ylhexan-1-amine?
N-methyl-3-methylidene-N-propyl-6-pyrrolidin-1-ylhexan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.15, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylidene-N-propyl-6-pyrrolidin-1-ylhexan-1-amine is sourced from PubChem (CID 142283588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).