N-propyl-N-[(2-pyridin-3-ylcyclohex-2-en-1-yl)methyl]propan-1-amine;hydrochloride

C18H29ClN2 — CID 69223024

IUPACN-propyl-N-[(2-pyridin-3-ylcyclohex-2-en-1-yl)methyl]propan-1-amine;hydrochloride
SMILESCCCN(CCC)CC1CCCC=C1c1cccnc1.Cl
InChIInChI=1S/C18H28N2.ClH/c1-3-12-20(13-4-2)15-17-8-5-6-10-18(17)16-9-7-11-19-14-16;/h7,9-11,14,17H,3-6,8,12-13,15H2,1-2H3;1H
InChIKeyFEDKMNYFLDWEAR-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.81
Rot. Bonds7

About N-propyl-N-[(2-pyridin-3-ylcyclohex-2-en-1-yl)methyl]propan-1-amine;hydrochloride

N-propyl-N-[(2-pyridin-3-ylcyclohex-2-en-1-yl)methyl]propan-1-amine;hydrochloride (PubChem CID 69223024) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is N-propyl-N-[(2-pyridin-3-ylcyclohex-2-en-1-yl)methyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-propyl-N-[(2-pyridin-3-ylcyclohex-2-en-1-yl)methyl]propan-1-amine;hydrochloride
PubChem CID69223024
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC NameN-propyl-N-[(2-pyridin-3-ylcyclohex-2-en-1-yl)methyl]propan-1-amine;hydrochloride
SMILESCCCN(CCC)CC1CCCC=C1c1cccnc1.Cl
InChIInChI=1S/C18H28N2.ClH/c1-3-12-20(13-4-2)15-17-8-5-6-10-18(17)16-9-7-11-19-14-16;/h7,9-11,14,17H,3-6,8,12-13,15H2,1-2H3;1H
InChIKeyFEDKMNYFLDWEAR-UHFFFAOYSA-N
XLogP4.81
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-[(2-pyridin-3-ylcyclohex-2-en-1-yl)methyl]propan-1-amine;hydrochloride?
The IUPAC name of N-propyl-N-[(2-pyridin-3-ylcyclohex-2-en-1-yl)methyl]propan-1-amine;hydrochloride (CID 69223024) is N-propyl-N-[(2-pyridin-3-ylcyclohex-2-en-1-yl)methyl]propan-1-amine;hydrochloride.
What is the SMILES notation for N-propyl-N-[(2-pyridin-3-ylcyclohex-2-en-1-yl)methyl]propan-1-amine;hydrochloride?
The canonical SMILES for N-propyl-N-[(2-pyridin-3-ylcyclohex-2-en-1-yl)methyl]propan-1-amine;hydrochloride is CCCN(CCC)CC1CCCC=C1c1cccnc1.Cl.
What is the InChIKey of N-propyl-N-[(2-pyridin-3-ylcyclohex-2-en-1-yl)methyl]propan-1-amine;hydrochloride?
The InChIKey is FEDKMNYFLDWEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2.ClH/c1-3-12-20(13-4-2)15-17-8-5-6-10-18(17)16-9-7-11-19-14-16;/h7,9-11,14,17H,3-6,8,12-13,15H2,1-2H3;1H.
What are the key properties of N-propyl-N-[(2-pyridin-3-ylcyclohex-2-en-1-yl)methyl]propan-1-amine;hydrochloride?
N-propyl-N-[(2-pyridin-3-ylcyclohex-2-en-1-yl)methyl]propan-1-amine;hydrochloride has a molecular weight of 308.90 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-[(2-pyridin-3-ylcyclohex-2-en-1-yl)methyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 69223024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).