2-N-cyclopropyl-3-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine

C14H24N2S — CID 54948407

IUPAC2-N-cyclopropyl-3-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
SMILESCCC(C)C(CN)N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H24N2S/c1-3-11(2)14(9-15)16(12-6-7-12)10-13-5-4-8-17-13/h4-5,8,11-12,14H,3,6-7,9-10,15H2,1-2H3
InChIKeyKTLRZLVRKXKFJF-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.09
Rot. Bonds7

About 2-N-cyclopropyl-3-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine

2-N-cyclopropyl-3-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine (PubChem CID 54948407) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-N-cyclopropyl-3-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-3-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
PubChem CID54948407
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2-N-cyclopropyl-3-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
SMILESCCC(C)C(CN)N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H24N2S/c1-3-11(2)14(9-15)16(12-6-7-12)10-13-5-4-8-17-13/h4-5,8,11-12,14H,3,6-7,9-10,15H2,1-2H3
InChIKeyKTLRZLVRKXKFJF-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-cyclopropyl-1-N,3-dimethyl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62411330
1-(4-chlorophenyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61451039
2-[cyclopropyl(thiophen-2-ylmethyl)amino]pentan-3-one
CID 64868203
3-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448892
2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid
CID 61448732
4-[cyclopropyl(thiophen-2-ylmethyl)amino]pentanehydrazide
CID 63577701
tert-butyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoate
CID 64688568
1-(3-chloro-4-methylphenyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 106817331
N-cyclopropyl-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61450741
N-cyclopropyl-1-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 82835500
N-cyclopropyl-1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61450702
N-cyclopropyl-1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61450779

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-3-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-3-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine (CID 54948407) is 2-N-cyclopropyl-3-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-3-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-3-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine is CCC(C)C(CN)N(Cc1cccs1)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-3-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine?
The InChIKey is KTLRZLVRKXKFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-3-11(2)14(9-15)16(12-6-7-12)10-13-5-4-8-17-13/h4-5,8,11-12,14H,3,6-7,9-10,15H2,1-2H3.
What are the key properties of 2-N-cyclopropyl-3-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine?
2-N-cyclopropyl-3-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine has a molecular weight of 252.43 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-3-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine is sourced from PubChem (CID 54948407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).