N-[[4-(benzylamino)cyclohexyl]methyl]-4-chloro-5-methylpyridin-2-amine

C20H26ClN3 — CID 91246929

IUPACN-[[4-(benzylamino)cyclohexyl]methyl]-4-chloro-5-methylpyridin-2-amine
SMILESCc1cnc(NCC2CCC(NCc3ccccc3)CC2)cc1Cl
InChIInChI=1S/C20H26ClN3/c1-15-12-23-20(11-19(15)21)24-14-17-7-9-18(10-8-17)22-13-16-5-3-2-4-6-16/h2-6,11-12,17-18,22H,7-10,13-14H2,1H3,(H,23,24)
InChIKeyHWLQYLSHXYOHTC-UHFFFAOYSA-N
MW343.90 g/mol
LogP4.80
Rot. Bonds6

About N-[[4-(benzylamino)cyclohexyl]methyl]-4-chloro-5-methylpyridin-2-amine

N-[[4-(benzylamino)cyclohexyl]methyl]-4-chloro-5-methylpyridin-2-amine (PubChem CID 91246929) has the molecular formula C20H26ClN3 and a molecular weight of 343.90 g/mol. Its IUPAC name is N-[[4-(benzylamino)cyclohexyl]methyl]-4-chloro-5-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[[4-(benzylamino)cyclohexyl]methyl]-4-chloro-5-methylpyridin-2-amine
PubChem CID91246929
Molecular FormulaC20H26ClN3
Molecular Weight343.90 g/mol
Exact Mass343.18
IUPAC NameN-[[4-(benzylamino)cyclohexyl]methyl]-4-chloro-5-methylpyridin-2-amine
SMILESCc1cnc(NCC2CCC(NCc3ccccc3)CC2)cc1Cl
InChIInChI=1S/C20H26ClN3/c1-15-12-23-20(11-19(15)21)24-14-17-7-9-18(10-8-17)22-13-16-5-3-2-4-6-16/h2-6,11-12,17-18,22H,7-10,13-14H2,1H3,(H,23,24)
InChIKeyHWLQYLSHXYOHTC-UHFFFAOYSA-N
XLogP4.80
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4,5-dichloropyridin-2-amine
CID 130637880
benzene;N-benzylcyclohexanamine
CID 142622843
N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
CID 63195272
N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine
CID 83267584
6-N-benzyl-4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112858867
N-benzyl-4-(7-chloroisoquinolin-6-yl)oxycyclohexan-1-amine
CID 25055880
N-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62295657
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cycloheptanamine
CID 35698685
N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine
CID 112609978
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cyclohexanamine
CID 35698068
N,3-dibenzylcyclopentan-1-amine
CID 123575298
N-benzyl-3-chloro-4-methylaniline
CID 18778604

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzylamino)cyclohexyl]methyl]-4-chloro-5-methylpyridin-2-amine?
The IUPAC name of N-[[4-(benzylamino)cyclohexyl]methyl]-4-chloro-5-methylpyridin-2-amine (CID 91246929) is N-[[4-(benzylamino)cyclohexyl]methyl]-4-chloro-5-methylpyridin-2-amine.
What is the SMILES notation for N-[[4-(benzylamino)cyclohexyl]methyl]-4-chloro-5-methylpyridin-2-amine?
The canonical SMILES for N-[[4-(benzylamino)cyclohexyl]methyl]-4-chloro-5-methylpyridin-2-amine is Cc1cnc(NCC2CCC(NCc3ccccc3)CC2)cc1Cl.
What is the InChIKey of N-[[4-(benzylamino)cyclohexyl]methyl]-4-chloro-5-methylpyridin-2-amine?
The InChIKey is HWLQYLSHXYOHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3/c1-15-12-23-20(11-19(15)21)24-14-17-7-9-18(10-8-17)22-13-16-5-3-2-4-6-16/h2-6,11-12,17-18,22H,7-10,13-14H2,1H3,(H,23,24).
What are the key properties of N-[[4-(benzylamino)cyclohexyl]methyl]-4-chloro-5-methylpyridin-2-amine?
N-[[4-(benzylamino)cyclohexyl]methyl]-4-chloro-5-methylpyridin-2-amine has a molecular weight of 343.90 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzylamino)cyclohexyl]methyl]-4-chloro-5-methylpyridin-2-amine is sourced from PubChem (CID 91246929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).