N-[1-(2,2,5,5-tetramethylcyclohexyl)ethenyl]propan-1-amine

C15H29N — CID 146647456

IUPACN-[1-(2,2,5,5-tetramethylcyclohexyl)ethenyl]propan-1-amine
SMILESC=C(NCCC)C1CC(C)(C)CCC1(C)C
InChIInChI=1S/C15H29N/c1-7-10-16-12(2)13-11-14(3,4)8-9-15(13,5)6/h13,16H,2,7-11H2,1,3-6H3
InChIKeyISFIJEVPMBCHAS-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.35
Rot. Bonds4

About N-[1-(2,2,5,5-tetramethylcyclohexyl)ethenyl]propan-1-amine

N-[1-(2,2,5,5-tetramethylcyclohexyl)ethenyl]propan-1-amine (PubChem CID 146647456) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-[1-(2,2,5,5-tetramethylcyclohexyl)ethenyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,2,5,5-tetramethylcyclohexyl)ethenyl]propan-1-amine
PubChem CID146647456
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-[1-(2,2,5,5-tetramethylcyclohexyl)ethenyl]propan-1-amine
SMILESC=C(NCCC)C1CC(C)(C)CCC1(C)C
InChIInChI=1S/C15H29N/c1-7-10-16-12(2)13-11-14(3,4)8-9-15(13,5)6/h13,16H,2,7-11H2,1,3-6H3
InChIKeyISFIJEVPMBCHAS-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,5,5-tetramethylcyclohexyl)ethenyl]propan-1-amine?
The IUPAC name of N-[1-(2,2,5,5-tetramethylcyclohexyl)ethenyl]propan-1-amine (CID 146647456) is N-[1-(2,2,5,5-tetramethylcyclohexyl)ethenyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,2,5,5-tetramethylcyclohexyl)ethenyl]propan-1-amine?
The canonical SMILES for N-[1-(2,2,5,5-tetramethylcyclohexyl)ethenyl]propan-1-amine is C=C(NCCC)C1CC(C)(C)CCC1(C)C.
What is the InChIKey of N-[1-(2,2,5,5-tetramethylcyclohexyl)ethenyl]propan-1-amine?
The InChIKey is ISFIJEVPMBCHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-7-10-16-12(2)13-11-14(3,4)8-9-15(13,5)6/h13,16H,2,7-11H2,1,3-6H3.
What are the key properties of N-[1-(2,2,5,5-tetramethylcyclohexyl)ethenyl]propan-1-amine?
N-[1-(2,2,5,5-tetramethylcyclohexyl)ethenyl]propan-1-amine has a molecular weight of 223.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,5,5-tetramethylcyclohexyl)ethenyl]propan-1-amine is sourced from PubChem (CID 146647456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).