N-[[4-propan-2-yl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine

C19H30N2 — CID 104737416

IUPACN-[[4-propan-2-yl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
SMILESCC(C)C1CCC(CNC2CC2)C(Cc2cccnc2)C1
InChIInChI=1S/C19H30N2/c1-14(2)16-5-6-17(13-21-19-7-8-19)18(11-16)10-15-4-3-9-20-12-15/h3-4,9,12,14,16-19,21H,5-8,10-11,13H2,1-2H3
InChIKeyBLYIQKRCYKNLGA-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.06
Rot. Bonds6

About N-[[4-propan-2-yl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine

N-[[4-propan-2-yl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 104737416) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[[4-propan-2-yl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-propan-2-yl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
PubChem CID104737416
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-[[4-propan-2-yl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
SMILESCC(C)C1CCC(CNC2CC2)C(Cc2cccnc2)C1
InChIInChI=1S/C19H30N2/c1-14(2)16-5-6-17(13-21-19-7-8-19)18(11-16)10-15-4-3-9-20-12-15/h3-4,9,12,14,16-19,21H,5-8,10-11,13H2,1-2H3
InChIKeyBLYIQKRCYKNLGA-UHFFFAOYSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[2-(pyridin-3-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 104737366
N-[[4-propan-2-yl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]ethanamine
CID 81029704
N-[[4-propyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 104737410
1-[4-ethyl-2-(pyridin-3-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 113447096
N-[[4-methyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 104737396
N-(2,3-dimethyl-4-pyridin-3-ylbutyl)cyclopropanamine
CID 104737358
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
N-[(2-hexyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
CID 81030673
N-[(4-propan-2-yl-2-pyridin-3-ylcyclohexyl)methyl]propan-1-amine
CID 81029849
[(1S,2S)-2,5-di(propan-2-yl)cyclohexyl]methylbenzene
CID 158591556
N-cyclopropyl-N',2-dimethyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62433595
3-[(3-methoxycyclohex-3-en-1-yl)methyl]pyridine
CID 175121703

Frequently Asked Questions

What is the IUPAC name of N-[[4-propan-2-yl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-propan-2-yl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine (CID 104737416) is N-[[4-propan-2-yl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-propan-2-yl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-propan-2-yl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine is CC(C)C1CCC(CNC2CC2)C(Cc2cccnc2)C1.
What is the InChIKey of N-[[4-propan-2-yl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is BLYIQKRCYKNLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-14(2)16-5-6-17(13-21-19-7-8-19)18(11-16)10-15-4-3-9-20-12-15/h3-4,9,12,14,16-19,21H,5-8,10-11,13H2,1-2H3.
What are the key properties of N-[[4-propan-2-yl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine?
N-[[4-propan-2-yl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 286.46 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-propan-2-yl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 104737416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).