1-N-cyclopentyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine

C16H28N2S — CID 62568174

IUPAC1-N-cyclopentyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCC(C)N(Cc1cccs1)C(C)CNC1CCCC1
InChIInChI=1S/C16H28N2S/c1-13(2)18(12-16-9-6-10-19-16)14(3)11-17-15-7-4-5-8-15/h6,9-10,13-15,17H,4-5,7-8,11-12H2,1-3H3
InChIKeyIAVAKSDPMZOWKF-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.88
Rot. Bonds7

About 1-N-cyclopentyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine

1-N-cyclopentyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine (PubChem CID 62568174) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-N-cyclopentyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopentyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
PubChem CID62568174
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-N-cyclopentyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCC(C)N(Cc1cccs1)C(C)CNC1CCCC1
InChIInChI=1S/C16H28N2S/c1-13(2)18(12-16-9-6-10-19-16)14(3)11-17-15-7-4-5-8-15/h6,9-10,13-15,17H,4-5,7-8,11-12H2,1-3H3
InChIKeyIAVAKSDPMZOWKF-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclopropyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 55072330
1-N-(3-methylbutyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 55087518
1-N-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62570543
1-N-pentan-2-yl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62567811
N,N'-dicyclopropyl-2-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62412914
1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 62420794
N-(2-cyclopentyl-4-thiophen-2-ylbutyl)cyclopropanamine
CID 112570087
1-N-methyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62462705
1-N-(furan-2-ylmethyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62567992
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
3-[propan-2-yl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61451665
1-N,2-dimethyl-3-N-propan-2-yl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 79408522

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 1-N-cyclopentyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine (CID 62568174) is 1-N-cyclopentyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopentyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-cyclopentyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine is CC(C)N(Cc1cccs1)C(C)CNC1CCCC1.
What is the InChIKey of 1-N-cyclopentyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The InChIKey is IAVAKSDPMZOWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-13(2)18(12-16-9-6-10-19-16)14(3)11-17-15-7-4-5-8-15/h6,9-10,13-15,17H,4-5,7-8,11-12H2,1-3H3.
What are the key properties of 1-N-cyclopentyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
1-N-cyclopentyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine has a molecular weight of 280.48 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 62568174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).