N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine

C14H30N2 — CID 60853944

IUPACN-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine
SMILESCCC(C)NCCN(C)C1CCCCCC1
InChIInChI=1S/C14H30N2/c1-4-13(2)15-11-12-16(3)14-9-7-5-6-8-10-14/h13-15H,4-12H2,1-3H3
InChIKeyXSLNGBUPUFUABO-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.03
Rot. Bonds6

About N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine

N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine (PubChem CID 60853944) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine
PubChem CID60853944
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine
SMILESCCC(C)NCCN(C)C1CCCCCC1
InChIInChI=1S/C14H30N2/c1-4-13(2)15-11-12-16(3)14-9-7-5-6-8-10-14/h13-15H,4-12H2,1-3H3
InChIKeyXSLNGBUPUFUABO-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[2-[cyclopentyl(methyl)amino]ethyl]propane-1,2-diamine
CID 103389932
N'-cyclopentyl-N-(1-ethylsulfonylpropan-2-yl)-N'-methylethane-1,2-diamine
CID 113350762
N'-cyclopentyl-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62574178
N-butan-2-yl-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82740088
N'-cyclopentyl-N-heptan-4-yl-N'-methylethane-1,2-diamine
CID 55205255
2-[2-[cyclopentyl(methyl)amino]ethylamino]propanenitrile
CID 63318071
N-butan-2-yl-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 63657941
N'-cyclohexyl-N'-methyl-N-(3-methylpentan-2-yl)propane-1,3-diamine
CID 54880326
N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62425000
N'-cyclopentyl-N'-methyl-N-[1-(1-methylcyclopropyl)ethyl]ethane-1,2-diamine
CID 63314802
N'-cyclopentyl-N-[1-(4-fluorophenyl)propan-2-yl]-N'-methylethane-1,2-diamine
CID 115717758
ethyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanoate
CID 63318117

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine (CID 60853944) is N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine is CCC(C)NCCN(C)C1CCCCCC1.
What is the InChIKey of N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine?
The InChIKey is XSLNGBUPUFUABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-13(2)15-11-12-16(3)14-9-7-5-6-8-10-14/h13-15H,4-12H2,1-3H3.
What are the key properties of N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine?
N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 60853944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).