N-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylcyclohexan-1-amine

C16H26N2 — CID 107448832

IUPACN-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylcyclohexan-1-amine
SMILESCc1cnccc1CNC1CCCC(C(C)C)C1
InChIInChI=1S/C16H26N2/c1-12(2)14-5-4-6-16(9-14)18-11-15-7-8-17-10-13(15)3/h7-8,10,12,14,16,18H,4-6,9,11H2,1-3H3
InChIKeyKNKYHEBJOJEOEI-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.69
Rot. Bonds4

About N-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylcyclohexan-1-amine

N-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107448832) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylcyclohexan-1-amine
PubChem CID107448832
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylcyclohexan-1-amine
SMILESCc1cnccc1CNC1CCCC(C(C)C)C1
InChIInChI=1S/C16H26N2/c1-12(2)14-5-4-6-16(9-14)18-11-15-7-8-17-10-13(15)3/h7-8,10,12,14,16,18H,4-6,9,11H2,1-3H3
InChIKeyKNKYHEBJOJEOEI-UHFFFAOYSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methyl-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
CID 114699082
3-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine
CID 114699208
N-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 114698856
1-methyl-N-[(3-methyl-4-pyridinyl)methyl]piperidin-3-amine
CID 114699054
2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine
CID 114698819
N-[(3-methyl-4-pyridinyl)methyl]-4-phenylcyclohexan-1-amine
CID 114698974
4-propan-2-yl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine
CID 65087684
3-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]cyclobutan-1-amine
CID 114698616
3-methyl-N-[(4-methyl-3-pyridinyl)methyl]cyclopentan-1-amine
CID 114544009
1-cyclopentyl-3-[(3-methyl-4-pyridinyl)methyl]thiourea
CID 114699391
(1R,5S,6R,7S)-N-[(3-methyl-4-pyridinyl)methyl]-7-phenylbicyclo[3.2.0]heptan-6-amine
CID 51587201
1-cyclohexyl-3-[(3-methyl-4-pyridinyl)methyl]urea
CID 114699395

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylcyclohexan-1-amine (CID 107448832) is N-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylcyclohexan-1-amine is Cc1cnccc1CNC1CCCC(C(C)C)C1.
What is the InChIKey of N-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is KNKYHEBJOJEOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)14-5-4-6-16(9-14)18-11-15-7-8-17-10-13(15)3/h7-8,10,12,14,16,18H,4-6,9,11H2,1-3H3.
What are the key properties of N-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylcyclohexan-1-amine?
N-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107448832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).