4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine

C18H25N3 — CID 105379010

IUPAC4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine
SMILESCc1ccc2cc(CN(C)C3CCC(N)CC3)ccc2n1
InChIInChI=1S/C18H25N3/c1-13-3-5-15-11-14(4-10-18(15)20-13)12-21(2)17-8-6-16(19)7-9-17/h3-5,10-11,16-17H,6-9,12,19H2,1-2H3
InChIKeyNOCOJFGZMIGRGU-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.24
Rot. Bonds3

About 4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine

4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine (PubChem CID 105379010) 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-6-yl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine
PubChem CID105379010
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine
SMILESCc1ccc2cc(CN(C)C3CCC(N)CC3)ccc2n1
InChIInChI=1S/C18H25N3/c1-13-3-5-15-11-14(4-10-18(15)20-13)12-21(2)17-8-6-16(19)7-9-17/h3-5,10-11,16-17H,6-9,12,19H2,1-2H3
InChIKeyNOCOJFGZMIGRGU-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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Related Compounds

4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine
CID 105378440
4-N-methyl-4-N-[(2-methylquinolin-4-yl)methyl]cyclohexane-1,4-diamine
CID 79233798
4-N-methyl-4-N-(quinolin-2-ylmethyl)cyclohexane-1,4-diamine
CID 79112911
4-N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 80657500
N'-ethyl-N'-[(2-methylquinolin-6-yl)methyl]ethane-1,2-diamine
CID 114231068
2-[methyl-[(2-methylquinolin-6-yl)methyl]amino]acetic acid
CID 105379644
4-amino-1-(2-methylquinolin-6-yl)cyclohexan-1-ol
CID 81216154
(2-methylquinolin-6-yl)methanethiol
CID 105379811
4-N-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexane-1,4-diamine
CID 79121827
4-N-[(6-chloro-3-pyridinyl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121749
2-(2-methylquinolin-6-yl)cyclobutan-1-amine
CID 81221612
N-methyl-N-(quinolin-6-ylmethyl)piperidin-4-amine
CID 43607729

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine (CID 105379010) is 4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine is Cc1ccc2cc(CN(C)C3CCC(N)CC3)ccc2n1.
What is the InChIKey of 4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine?
The InChIKey is NOCOJFGZMIGRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-13-3-5-15-11-14(4-10-18(15)20-13)12-21(2)17-8-6-16(19)7-9-17/h3-5,10-11,16-17H,6-9,12,19H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine?
4-N-methyl-4-N-[(2-methylquinolin-6-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-6-yl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 105379010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).