N-butan-2-yl-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

C14H24N2S — CID 61449596

IUPACN-butan-2-yl-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCCC(C)NCCN(Cc1cccs1)C1CC1
InChIInChI=1S/C14H24N2S/c1-3-12(2)15-8-9-16(13-6-7-13)11-14-5-4-10-17-14/h4-5,10,12-13,15H,3,6-9,11H2,1-2H3
InChIKeyRZRRFAOCRQJOCE-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.10
Rot. Bonds8

About N-butan-2-yl-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

N-butan-2-yl-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 61449596) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-butan-2-yl-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID61449596
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-butan-2-yl-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCCC(C)NCCN(Cc1cccs1)C1CC1
InChIInChI=1S/C14H24N2S/c1-3-12(2)15-8-9-16(13-6-7-13)11-14-5-4-10-17-14/h4-5,10,12-13,15H,3,6-9,11H2,1-2H3
InChIKeyRZRRFAOCRQJOCE-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 61449280
N'-cyclopropyl-N-ethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 55069331
N'-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557934
N-(3,3-diethoxypropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 55249177
(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932763
N'-cyclopropyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62556546
4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 114762984
N-butan-2-yl-N'-cyclopropyl-N'-propylethane-1,2-diamine
CID 60852498
N-but-3-ynyl-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 63655817
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
N,N'-dicyclopropyl-2-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62412914
N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557593

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 61449596) is N-butan-2-yl-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is CCC(C)NCCN(Cc1cccs1)C1CC1.
What is the InChIKey of N-butan-2-yl-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is RZRRFAOCRQJOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-3-12(2)15-8-9-16(13-6-7-13)11-14-5-4-10-17-14/h4-5,10,12-13,15H,3,6-9,11H2,1-2H3.
What are the key properties of N-butan-2-yl-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N-butan-2-yl-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 252.43 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 61449596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).