4-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-N-propylcyclohexane-1,4-diamine

C17H29N3O — CID 82887262

IUPAC4-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(Cc1cc(OC)cc(C)n1)C1CCC(N)CC1
InChIInChI=1S/C17H29N3O/c1-4-9-20(16-7-5-14(18)6-8-16)12-15-11-17(21-3)10-13(2)19-15/h10-11,14,16H,4-9,12,18H2,1-3H3
InChIKeyGWUNHCWYXINUMC-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.88
Rot. Bonds6

About 4-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-N-propylcyclohexane-1,4-diamine

4-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-N-propylcyclohexane-1,4-diamine (PubChem CID 82887262) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-N-propylcyclohexane-1,4-diamine
PubChem CID82887262
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(Cc1cc(OC)cc(C)n1)C1CCC(N)CC1
InChIInChI=1S/C17H29N3O/c1-4-9-20(16-7-5-14(18)6-8-16)12-15-11-17(21-3)10-13(2)19-15/h10-11,14,16H,4-9,12,18H2,1-3H3
InChIKeyGWUNHCWYXINUMC-UHFFFAOYSA-N
XLogP2.88
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 82895979
3-[cyclopropyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]propanoic acid
CID 82892878
N-(2-bromoethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopentanamine
CID 82895707
N-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 82886634
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-propylamino]acetic acid
CID 82893491
4-N-[[4-(methoxymethyl)phenyl]methyl]-4-N-propylcyclohexane-1,4-diamine
CID 79113027
4-N-[(3,5-dichlorophenyl)methyl]-4-N-propylcyclohexane-1,4-diamine
CID 79112363
2-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine
CID 102637568
4-N-benzyl-4-N-propylcyclohexane-1,4-diamine
CID 79112362
8-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 82892806
4-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 79115451
2-(2-cyclopropylethylsulfanylmethyl)-4-methoxy-6-methylpyridine
CID 154862734

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-N-propylcyclohexane-1,4-diamine (CID 82887262) is 4-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-N-propylcyclohexane-1,4-diamine is CCCN(Cc1cc(OC)cc(C)n1)C1CCC(N)CC1.
What is the InChIKey of 4-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is GWUNHCWYXINUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-9-20(16-7-5-14(18)6-8-16)12-15-11-17(21-3)10-13(2)19-15/h10-11,14,16H,4-9,12,18H2,1-3H3.
What are the key properties of 4-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-N-propylcyclohexane-1,4-diamine?
4-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 291.44 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 82887262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).