N-propyl-4-pyrrolidin-1-ylcyclohex-3-en-1-amine

C13H24N2 — CID 59779368

IUPACN-propyl-4-pyrrolidin-1-ylcyclohex-3-en-1-amine
SMILESCCCNC1CC=C(N2CCCC2)CC1
InChIInChI=1S/C13H24N2/c1-2-9-14-12-5-7-13(8-6-12)15-10-3-4-11-15/h7,12,14H,2-6,8-11H2,1H3
InChIKeyBJCMLCBGVSRUFZ-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.52
Rot. Bonds4

About N-propyl-4-pyrrolidin-1-ylcyclohex-3-en-1-amine

N-propyl-4-pyrrolidin-1-ylcyclohex-3-en-1-amine (PubChem CID 59779368) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-propyl-4-pyrrolidin-1-ylcyclohex-3-en-1-amine.

Molecular Properties

Compound NameN-propyl-4-pyrrolidin-1-ylcyclohex-3-en-1-amine
PubChem CID59779368
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-propyl-4-pyrrolidin-1-ylcyclohex-3-en-1-amine
SMILESCCCNC1CC=C(N2CCCC2)CC1
InChIInChI=1S/C13H24N2/c1-2-9-14-12-5-7-13(8-6-12)15-10-3-4-11-15/h7,12,14H,2-6,8-11H2,1H3
InChIKeyBJCMLCBGVSRUFZ-UHFFFAOYSA-N
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyl-4-pyrrolidin-1-ylcyclohex-3-en-1-amine?
The IUPAC name of N-propyl-4-pyrrolidin-1-ylcyclohex-3-en-1-amine (CID 59779368) is N-propyl-4-pyrrolidin-1-ylcyclohex-3-en-1-amine.
What is the SMILES notation for N-propyl-4-pyrrolidin-1-ylcyclohex-3-en-1-amine?
The canonical SMILES for N-propyl-4-pyrrolidin-1-ylcyclohex-3-en-1-amine is CCCNC1CC=C(N2CCCC2)CC1.
What is the InChIKey of N-propyl-4-pyrrolidin-1-ylcyclohex-3-en-1-amine?
The InChIKey is BJCMLCBGVSRUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-2-9-14-12-5-7-13(8-6-12)15-10-3-4-11-15/h7,12,14H,2-6,8-11H2,1H3.
What are the key properties of N-propyl-4-pyrrolidin-1-ylcyclohex-3-en-1-amine?
N-propyl-4-pyrrolidin-1-ylcyclohex-3-en-1-amine has a molecular weight of 208.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-pyrrolidin-1-ylcyclohex-3-en-1-amine is sourced from PubChem (CID 59779368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).