N-cyclohexyl-N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine

C16H27N3 — CID 79310631

IUPACN-cyclohexyl-N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESCc1cccc(CN(C)CCNC2CCCCC2)n1
InChIInChI=1S/C16H27N3/c1-14-7-6-10-16(18-14)13-19(2)12-11-17-15-8-4-3-5-9-15/h6-7,10,15,17H,3-5,8-9,11-13H2,1-2H3
InChIKeyFFNFQFJNVSFTHF-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.74
Rot. Bonds6

About N-cyclohexyl-N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine

N-cyclohexyl-N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine (PubChem CID 79310631) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-cyclohexyl-N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclohexyl-N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
PubChem CID79310631
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-cyclohexyl-N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESCc1cccc(CN(C)CCNC2CCCCC2)n1
InChIInChI=1S/C16H27N3/c1-14-7-6-10-16(18-14)13-19(2)12-11-17-15-8-4-3-5-9-15/h6-7,10,15,17H,3-5,8-9,11-13H2,1-2H3
InChIKeyFFNFQFJNVSFTHF-UHFFFAOYSA-N
XLogP2.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 62573288
N-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 62575304
N'-methyl-N-(2-methylpropyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 79267629
N-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62575486
N-cyclohexyl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 55085461
5-[(cyclopropylamino)methyl]-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazin-2-amine
CID 107380594
2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-6-methylpyridine
CID 106054981
N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79267853
N-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494562
N-cyclopropyl-N'-methyl-N'-(naphthalen-1-ylmethyl)ethane-1,2-diamine
CID 55002950
N-methyl-2-[4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]ethanamine
CID 105348013
3-(cyclopropylamino)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 62308912

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The IUPAC name of N-cyclohexyl-N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine (CID 79310631) is N-cyclohexyl-N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-cyclohexyl-N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-cyclohexyl-N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine is Cc1cccc(CN(C)CCNC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The InChIKey is FFNFQFJNVSFTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-14-7-6-10-16(18-14)13-19(2)12-11-17-15-8-4-3-5-9-15/h6-7,10,15,17H,3-5,8-9,11-13H2,1-2H3.
What are the key properties of N-cyclohexyl-N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
N-cyclohexyl-N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine has a molecular weight of 261.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 79310631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).