N-[[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine

C18H29ClN2 — CID 81034599

IUPACN-[[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC(C)CC1Cc1ccncc1Cl
InChIInChI=1S/C18H29ClN2/c1-13(2)10-21-11-16-5-4-14(3)8-17(16)9-15-6-7-20-12-18(15)19/h6-7,12-14,16-17,21H,4-5,8-11H2,1-3H3
InChIKeyWOUVPQOLOVPFBO-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.58
Rot. Bonds6

About N-[[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine

N-[[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine (PubChem CID 81034599) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is N-[[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
PubChem CID81034599
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC NameN-[[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC(C)CC1Cc1ccncc1Cl
InChIInChI=1S/C18H29ClN2/c1-13(2)10-21-11-16-5-4-14(3)8-17(16)9-15-6-7-20-12-18(15)19/h6-7,12-14,16-17,21H,4-5,8-11H2,1-3H3
InChIKeyWOUVPQOLOVPFBO-UHFFFAOYSA-N
XLogP4.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

1-[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine
CID 81026182
N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81034036
N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]ethanamine
CID 81034147
2-methyl-N-[(4-methyl-2-pyrazin-2-ylcyclohexyl)methyl]propan-1-amine
CID 81031315
N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81018063
2-methyl-N-[[2-(pyridin-3-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 104737366
2-methyl-N-[[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81031393
N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027303
2-methyl-N-[[4-methyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-1-amine
CID 81032219
N-[[1-[(3-chloro-4-pyridinyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66024917
N-[[4-methyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 104737396
N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 79841622

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine (CID 81034599) is N-[[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCC(C)CC1Cc1ccncc1Cl.
What is the InChIKey of N-[[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine?
The InChIKey is WOUVPQOLOVPFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-13(2)10-21-11-16-5-4-14(3)8-17(16)9-15-6-7-20-12-18(15)19/h6-7,12-14,16-17,21H,4-5,8-11H2,1-3H3.
What are the key properties of N-[[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine?
N-[[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine has a molecular weight of 308.90 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81034599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).