4-N-methyl-4-N-[(2-methylquinolin-4-yl)methyl]cyclohexane-1,4-diamine

C18H25N3 — CID 79233798

IUPAC4-N-methyl-4-N-[(2-methylquinolin-4-yl)methyl]cyclohexane-1,4-diamine
SMILESCc1cc(CN(C)C2CCC(N)CC2)c2ccccc2n1
InChIInChI=1S/C18H25N3/c1-13-11-14(17-5-3-4-6-18(17)20-13)12-21(2)16-9-7-15(19)8-10-16/h3-6,11,15-16H,7-10,12,19H2,1-2H3
InChIKeyVRBMVDPGCQLZPG-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.24
Rot. Bonds3

About 4-N-methyl-4-N-[(2-methylquinolin-4-yl)methyl]cyclohexane-1,4-diamine

4-N-methyl-4-N-[(2-methylquinolin-4-yl)methyl]cyclohexane-1,4-diamine (PubChem CID 79233798) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(2-methylquinolin-4-yl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(2-methylquinolin-4-yl)methyl]cyclohexane-1,4-diamine
PubChem CID79233798
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name4-N-methyl-4-N-[(2-methylquinolin-4-yl)methyl]cyclohexane-1,4-diamine
SMILESCc1cc(CN(C)C2CCC(N)CC2)c2ccccc2n1
InChIInChI=1S/C18H25N3/c1-13-11-14(17-5-3-4-6-18(17)20-13)12-21(2)16-9-7-15(19)8-10-16/h3-6,11,15-16H,7-10,12,19H2,1-2H3
InChIKeyVRBMVDPGCQLZPG-UHFFFAOYSA-N
XLogP3.24
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(2-methylquinolin-4-yl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[(2-methylquinolin-4-yl)methyl]cyclohexane-1,4-diamine (CID 79233798) is 4-N-methyl-4-N-[(2-methylquinolin-4-yl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(2-methylquinolin-4-yl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(2-methylquinolin-4-yl)methyl]cyclohexane-1,4-diamine is Cc1cc(CN(C)C2CCC(N)CC2)c2ccccc2n1.
What is the InChIKey of 4-N-methyl-4-N-[(2-methylquinolin-4-yl)methyl]cyclohexane-1,4-diamine?
The InChIKey is VRBMVDPGCQLZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-13-11-14(17-5-3-4-6-18(17)20-13)12-21(2)16-9-7-15(19)8-10-16/h3-6,11,15-16H,7-10,12,19H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-[(2-methylquinolin-4-yl)methyl]cyclohexane-1,4-diamine?
4-N-methyl-4-N-[(2-methylquinolin-4-yl)methyl]cyclohexane-1,4-diamine has a molecular weight of 283.42 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(2-methylquinolin-4-yl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79233798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).