N-cycloheptyl-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine

C15H26N2S — CID 43613882

IUPACN-cycloheptyl-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
SMILESCc1ccsc1C(CN)N(C)C1CCCCCC1
InChIInChI=1S/C15H26N2S/c1-12-9-10-18-15(12)14(11-16)17(2)13-7-5-3-4-6-8-13/h9-10,13-14H,3-8,11,16H2,1-2H3
InChIKeyBRCSMQAVTDBQMA-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.71
Rot. Bonds4

About N-cycloheptyl-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine

N-cycloheptyl-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine (PubChem CID 43613882) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-cycloheptyl-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cycloheptyl-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
PubChem CID43613882
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-cycloheptyl-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
SMILESCc1ccsc1C(CN)N(C)C1CCCCCC1
InChIInChI=1S/C15H26N2S/c1-12-9-10-18-15(12)14(11-16)17(2)13-7-5-3-4-6-8-13/h9-10,13-14H,3-8,11,16H2,1-2H3
InChIKeyBRCSMQAVTDBQMA-UHFFFAOYSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cycloheptyl-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclobutylmethyl)-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 62861633
N-[2-(dimethylamino)ethyl]-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 63693012
N-methyl-N-(3-methylbutan-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 43569808
N-cyclopentyl-N-methyl-1-(5-methylfuran-2-yl)ethane-1,2-diamine
CID 43266988
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 79304465
N-cyclohexyl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 16783142
N-methyl-N-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 62001648
N-(3,5-dimethylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 62003890
2-cyclobutyloxy-2-(3-methylthiophen-2-yl)ethanamine
CID 62115425
1-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79384371
N-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
CID 115524228
1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine
CID 43267005

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
The IUPAC name of N-cycloheptyl-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine (CID 43613882) is N-cycloheptyl-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cycloheptyl-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-cycloheptyl-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine is Cc1ccsc1C(CN)N(C)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
The InChIKey is BRCSMQAVTDBQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-12-9-10-18-15(12)14(11-16)17(2)13-7-5-3-4-6-8-13/h9-10,13-14H,3-8,11,16H2,1-2H3.
What are the key properties of N-cycloheptyl-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
N-cycloheptyl-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine has a molecular weight of 266.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 43613882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).