N-methyl-N-(4-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]pyridin-3-amine

C17H29N3 — CID 105073614

IUPACN-methyl-N-(4-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]pyridin-3-amine
SMILESCC1CCC(N(C)c2cnccc2CNC(C)C)CC1
InChIInChI=1S/C17H29N3/c1-13(2)19-11-15-9-10-18-12-17(15)20(4)16-7-5-14(3)6-8-16/h9-10,12-14,16,19H,5-8,11H2,1-4H3
InChIKeyZLABLEHMMBLLBP-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.59
Rot. Bonds5

About N-methyl-N-(4-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]pyridin-3-amine

N-methyl-N-(4-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]pyridin-3-amine (PubChem CID 105073614) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]pyridin-3-amine
PubChem CID105073614
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-methyl-N-(4-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]pyridin-3-amine
SMILESCC1CCC(N(C)c2cnccc2CNC(C)C)CC1
InChIInChI=1S/C17H29N3/c1-13(2)19-11-15-9-10-18-12-17(15)20(4)16-7-5-14(3)6-8-16/h9-10,12-14,16,19H,5-8,11H2,1-4H3
InChIKeyZLABLEHMMBLLBP-UHFFFAOYSA-N
XLogP3.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105074523
N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248504
4-[(tert-butylamino)methyl]-N-cyclopropyl-N-methylpyridin-3-amine
CID 105072864
N-cyclobutyl-4-(ethylaminomethyl)-N-methylpyridin-3-amine
CID 105074525
N-(cyclopropylmethyl)-4-[(propan-2-ylamino)methyl]-N-propylpyridin-3-amine
CID 105073290
[3-[cyclopropyl(methyl)amino]-4-pyridinyl]methanol
CID 105066695
N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105073619
N-(4-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073352
4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-3-amine
CID 105067287
N-methyl-N-(2-methylcyclohexyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073520
N-(3,3-dimethylbutan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073184
N,N-dibutyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105072837

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]pyridin-3-amine?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]pyridin-3-amine (CID 105073614) is N-methyl-N-(4-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]pyridin-3-amine.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]pyridin-3-amine?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]pyridin-3-amine is CC1CCC(N(C)c2cnccc2CNC(C)C)CC1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]pyridin-3-amine?
The InChIKey is ZLABLEHMMBLLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-13(2)19-11-15-9-10-18-12-17(15)20(4)16-7-5-14(3)6-8-16/h9-10,12-14,16,19H,5-8,11H2,1-4H3.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]pyridin-3-amine?
N-methyl-N-(4-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]pyridin-3-amine has a molecular weight of 275.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]pyridin-3-amine is sourced from PubChem (CID 105073614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).