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

C15H26N2S — CID 54946732

IUPAC1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)cycloheptane-1,2-diamine
SMILESCC(C)N(Cc1cccs1)C1CCCCCC1N
InChIInChI=1S/C15H26N2S/c1-12(2)17(11-13-7-6-10-18-13)15-9-5-3-4-8-14(15)16/h6-7,10,12,14-15H,3-5,8-9,11,16H2,1-2H3
InChIKeyZXOLEUFCDYTLOW-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.62
Rot. Bonds4

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

1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)cycloheptane-1,2-diamine (PubChem CID 54946732) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)cycloheptane-1,2-diamine.

Molecular Properties

Compound Name1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)cycloheptane-1,2-diamine
PubChem CID54946732
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)cycloheptane-1,2-diamine
SMILESCC(C)N(Cc1cccs1)C1CCCCCC1N
InChIInChI=1S/C15H26N2S/c1-12(2)17(11-13-7-6-10-18-13)15-9-5-3-4-8-14(15)16/h6-7,10,12,14-15H,3-5,8-9,11,16H2,1-2H3
InChIKeyZXOLEUFCDYTLOW-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol
CID 102734532
1-N-methyl-1-N-(2-thiophen-2-ylethyl)cyclopentane-1,2-diamine
CID 79486799
2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 80998776
N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 62327409
2-N-cyclopropyl-3-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 54948407
1-cyclohexyl-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527381
2,2-dimethyl-5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 79865626
trans-(1S,2S)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-ol
CID 102731893
1-(aminomethyl)-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 61452996
2-N-propan-2-yl-2-N-propylcyclododecane-1,2-diamine
CID 43269481
N-ethyl-N-(thiophen-2-ylmethyl)cyclohexanamine
CID 69253511
1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
CID 81171454

Frequently Asked Questions

What is the IUPAC name of 1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)cycloheptane-1,2-diamine?
The IUPAC name of 1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)cycloheptane-1,2-diamine (CID 54946732) is 1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)cycloheptane-1,2-diamine.
What is the SMILES notation for 1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)cycloheptane-1,2-diamine?
The canonical SMILES for 1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)cycloheptane-1,2-diamine is CC(C)N(Cc1cccs1)C1CCCCCC1N.
What is the InChIKey of 1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)cycloheptane-1,2-diamine?
The InChIKey is ZXOLEUFCDYTLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-12(2)17(11-13-7-6-10-18-13)15-9-5-3-4-8-14(15)16/h6-7,10,12,14-15H,3-5,8-9,11,16H2,1-2H3.
What are the key properties of 1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)cycloheptane-1,2-diamine?
1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)cycloheptane-1,2-diamine has a molecular weight of 266.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)cycloheptane-1,2-diamine is sourced from PubChem (CID 54946732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).