N-[[4-propyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-2-amine

C19H32N2 — CID 104737410

IUPACN-[[4-propyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
SMILESCCCC1CCC(CNC(C)C)C(Cc2cccnc2)C1
InChIInChI=1S/C19H32N2/c1-4-6-16-8-9-18(14-21-15(2)3)19(11-16)12-17-7-5-10-20-13-17/h5,7,10,13,15-16,18-19,21H,4,6,8-9,11-12,14H2,1-3H3
InChIKeySVOZKAJKIFQYCK-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.45
Rot. Bonds7

About N-[[4-propyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-2-amine

N-[[4-propyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 104737410) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[[4-propyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-propyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
PubChem CID104737410
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[[4-propyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
SMILESCCCC1CCC(CNC(C)C)C(Cc2cccnc2)C1
InChIInChI=1S/C19H32N2/c1-4-6-16-8-9-18(14-21-15(2)3)19(11-16)12-17-7-5-10-20-13-17/h5,7,10,13,15-16,18-19,21H,4,6,8-9,11-12,14H2,1-3H3
InChIKeySVOZKAJKIFQYCK-UHFFFAOYSA-N
XLogP4.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-propyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-propyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-2-amine (CID 104737410) is N-[[4-propyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-propyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-propyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-2-amine is CCCC1CCC(CNC(C)C)C(Cc2cccnc2)C1.
What is the InChIKey of N-[[4-propyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is SVOZKAJKIFQYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-6-16-8-9-18(14-21-15(2)3)19(11-16)12-17-7-5-10-20-13-17/h5,7,10,13,15-16,18-19,21H,4,6,8-9,11-12,14H2,1-3H3.
What are the key properties of N-[[4-propyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-2-amine?
N-[[4-propyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 288.48 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-propyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 104737410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).