N-[[4-(methylamino)cyclohexyl]methyl]pyridin-4-amine

C13H21N3 — CID 115213590

IUPACN-[[4-(methylamino)cyclohexyl]methyl]pyridin-4-amine
SMILESCNC1CCC(CNc2ccncc2)CC1
InChIInChI=1S/C13H21N3/c1-14-12-4-2-11(3-5-12)10-16-13-6-8-15-9-7-13/h6-9,11-12,14H,2-5,10H2,1H3,(H,15,16)
InChIKeyUHRPSYSMVPVFMS-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.27
Rot. Bonds4

About N-[[4-(methylamino)cyclohexyl]methyl]pyridin-4-amine

N-[[4-(methylamino)cyclohexyl]methyl]pyridin-4-amine (PubChem CID 115213590) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[[4-(methylamino)cyclohexyl]methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[[4-(methylamino)cyclohexyl]methyl]pyridin-4-amine
PubChem CID115213590
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[[4-(methylamino)cyclohexyl]methyl]pyridin-4-amine
SMILESCNC1CCC(CNc2ccncc2)CC1
InChIInChI=1S/C13H21N3/c1-14-12-4-2-11(3-5-12)10-16-13-6-8-15-9-7-13/h6-9,11-12,14H,2-5,10H2,1H3,(H,15,16)
InChIKeyUHRPSYSMVPVFMS-UHFFFAOYSA-N
XLogP2.27
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(pyridin-4-ylamino)methyl]cyclohexan-1-ol
CID 106130739
N-methyl-4-(pyridin-4-ylmethyl)cyclohexan-1-amine
CID 73440193
N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine
CID 60857116
N-[[4-(methylamino)cyclohexyl]methyl]pyridin-2-amine
CID 115213588
N-(cyclopropylmethyl)-4-pyrimidin-4-ylaniline
CID 141092448
N-[[4-(anilinomethyl)cyclohexyl]methyl]aniline;ethane;methanol
CID 143136691
N-[(2-aminocyclohexyl)methyl]pyridin-4-amine
CID 64926899
N-[(2-cyclopropylcyclopropyl)methyl]pyridin-4-amine
CID 131084058
2-cyclohexyl-2-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]acetic acid
CID 67642158
4-chloro-N-(cyclopropylmethyl)aniline;hydrochloride
CID 53249942
N-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline
CID 59230557
benzyl (1S,5R)-3-[(pyridin-4-ylamino)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 69414258

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylamino)cyclohexyl]methyl]pyridin-4-amine?
The IUPAC name of N-[[4-(methylamino)cyclohexyl]methyl]pyridin-4-amine (CID 115213590) is N-[[4-(methylamino)cyclohexyl]methyl]pyridin-4-amine.
What is the SMILES notation for N-[[4-(methylamino)cyclohexyl]methyl]pyridin-4-amine?
The canonical SMILES for N-[[4-(methylamino)cyclohexyl]methyl]pyridin-4-amine is CNC1CCC(CNc2ccncc2)CC1.
What is the InChIKey of N-[[4-(methylamino)cyclohexyl]methyl]pyridin-4-amine?
The InChIKey is UHRPSYSMVPVFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-14-12-4-2-11(3-5-12)10-16-13-6-8-15-9-7-13/h6-9,11-12,14H,2-5,10H2,1H3,(H,15,16).
What are the key properties of N-[[4-(methylamino)cyclohexyl]methyl]pyridin-4-amine?
N-[[4-(methylamino)cyclohexyl]methyl]pyridin-4-amine has a molecular weight of 219.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylamino)cyclohexyl]methyl]pyridin-4-amine is sourced from PubChem (CID 115213590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).