N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine

C14H30N2 — CID 43130243

IUPACN-(3-pyrrolidin-1-ylpropyl)heptan-1-amine
SMILESCCCCCCCNCCCN1CCCC1
InChIInChI=1S/C14H30N2/c1-2-3-4-5-6-10-15-11-9-14-16-12-7-8-13-16/h15H,2-14H2,1H3
InChIKeyACRPPQUCBCFPNP-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.03
Rot. Bonds10

About N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine

N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine (PubChem CID 43130243) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylpropyl)heptan-1-amine
PubChem CID43130243
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-(3-pyrrolidin-1-ylpropyl)heptan-1-amine
SMILESCCCCCCCNCCCN1CCCC1
InChIInChI=1S/C14H30N2/c1-2-3-4-5-6-10-15-11-9-14-16-12-7-8-13-16/h15H,2-14H2,1H3
InChIKeyACRPPQUCBCFPNP-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(azepan-1-yl)ethyl]hexan-1-amine
CID 61239608
N-(2-pyrrolidin-1-ylethyl)pentan-1-amine
CID 28654194
4-piperidin-1-yl-N-propylbutan-1-amine
CID 62425057
N-(3-piperazin-1-ylpropyl)hexan-1-amine
CID 135182222
CID 162323144
CID 162323144
3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine
CID 69028178
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
methanesulfonic acid;1-undecylpyrrolidine
CID 175583381
methanesulfonic acid;1-nonylpyrrolidine
CID 175874971
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
1-decylpiperidine;methanesulfonic acid
CID 175874627
N-(3-piperazin-1-ylpropyl)pentan-1-amine
CID 67333838

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine?
The IUPAC name of N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine (CID 43130243) is N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine.
What is the SMILES notation for N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine?
The canonical SMILES for N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine is CCCCCCCNCCCN1CCCC1.
What is the InChIKey of N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine?
The InChIKey is ACRPPQUCBCFPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-2-3-4-5-6-10-15-11-9-14-16-12-7-8-13-16/h15H,2-14H2,1H3.
What are the key properties of N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine?
N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 3.03, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine is sourced from PubChem (CID 43130243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).