3-methyl-N-propyl-3-pyrrolidin-1-ylheptan-4-amine

C15H32N2 — CID 79069357

IUPAC3-methyl-N-propyl-3-pyrrolidin-1-ylheptan-4-amine
SMILESCCCNC(CCC)C(C)(CC)N1CCCC1
InChIInChI=1S/C15H32N2/c1-5-10-14(16-11-6-2)15(4,7-3)17-12-8-9-13-17/h14,16H,5-13H2,1-4H3
InChIKeyJZBGPGDTLBRYSE-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.42
Rot. Bonds8

About 3-methyl-N-propyl-3-pyrrolidin-1-ylheptan-4-amine

3-methyl-N-propyl-3-pyrrolidin-1-ylheptan-4-amine (PubChem CID 79069357) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 3-methyl-N-propyl-3-pyrrolidin-1-ylheptan-4-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-3-pyrrolidin-1-ylheptan-4-amine
PubChem CID79069357
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name3-methyl-N-propyl-3-pyrrolidin-1-ylheptan-4-amine
SMILESCCCNC(CCC)C(C)(CC)N1CCCC1
InChIInChI=1S/C15H32N2/c1-5-10-14(16-11-6-2)15(4,7-3)17-12-8-9-13-17/h14,16H,5-13H2,1-4H3
InChIKeyJZBGPGDTLBRYSE-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-5-methyl-5-piperidin-1-yl-N-propylheptan-4-amine
CID 114856241
3-methyl-3-piperidin-1-yl-N-propylnon-8-en-4-amine
CID 79065087
N-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-amine
CID 79069200
4-methyl-4-morpholin-4-yl-N-propylhexan-3-amine
CID 79065046
N-ethyl-3,7,7-trimethyl-3-piperidin-1-yloctan-4-amine
CID 79064855
4-methyl-4-piperidin-1-yl-N-propylhex-1-en-3-amine
CID 79064782
2-(azepan-1-yl)-2,5-dimethyl-N-propyloctan-3-amine
CID 79051683
N,3-dimethyl-3-pyrrolidin-1-yltridecan-4-amine
CID 79059306
(3-methyl-3-piperidin-1-yloctan-4-yl)hydrazine
CID 105241246
2-methyl-1-(4-methylcyclohexyl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79059842
N,4-dimethyl-4-piperidin-1-ylhexan-3-amine
CID 79065370
1-cyclobutyl-3-methyl-3-morpholin-4-yl-N-propylpentan-2-amine
CID 79065646

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-3-pyrrolidin-1-ylheptan-4-amine?
The IUPAC name of 3-methyl-N-propyl-3-pyrrolidin-1-ylheptan-4-amine (CID 79069357) is 3-methyl-N-propyl-3-pyrrolidin-1-ylheptan-4-amine.
What is the SMILES notation for 3-methyl-N-propyl-3-pyrrolidin-1-ylheptan-4-amine?
The canonical SMILES for 3-methyl-N-propyl-3-pyrrolidin-1-ylheptan-4-amine is CCCNC(CCC)C(C)(CC)N1CCCC1.
What is the InChIKey of 3-methyl-N-propyl-3-pyrrolidin-1-ylheptan-4-amine?
The InChIKey is JZBGPGDTLBRYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-10-14(16-11-6-2)15(4,7-3)17-12-8-9-13-17/h14,16H,5-13H2,1-4H3.
What are the key properties of 3-methyl-N-propyl-3-pyrrolidin-1-ylheptan-4-amine?
3-methyl-N-propyl-3-pyrrolidin-1-ylheptan-4-amine has a molecular weight of 240.43 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-3-pyrrolidin-1-ylheptan-4-amine is sourced from PubChem (CID 79069357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).