N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)but-3-en-1-amine

C14H27N — CID 115814891

IUPACN-propyl-1-(2,2,3,3-tetramethylcyclopropyl)but-3-en-1-amine
SMILESC=CCC(NCCC)C1C(C)(C)C1(C)C
InChIInChI=1S/C14H27N/c1-7-9-11(15-10-8-2)12-13(3,4)14(12,5)6/h7,11-12,15H,1,8-10H2,2-6H3
InChIKeyOQWLGGDTWQMCJC-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.61
Rot. Bonds6

About N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)but-3-en-1-amine

N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)but-3-en-1-amine (PubChem CID 115814891) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)but-3-en-1-amine.

Molecular Properties

Compound NameN-propyl-1-(2,2,3,3-tetramethylcyclopropyl)but-3-en-1-amine
PubChem CID115814891
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-propyl-1-(2,2,3,3-tetramethylcyclopropyl)but-3-en-1-amine
SMILESC=CCC(NCCC)C1C(C)(C)C1(C)C
InChIInChI=1S/C14H27N/c1-7-9-11(15-10-8-2)12-13(3,4)14(12,5)6/h7,11-12,15H,1,8-10H2,2-6H3
InChIKeyOQWLGGDTWQMCJC-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)but-3-en-1-amine?
The IUPAC name of N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)but-3-en-1-amine (CID 115814891) is N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)but-3-en-1-amine.
What is the SMILES notation for N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)but-3-en-1-amine?
The canonical SMILES for N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)but-3-en-1-amine is C=CCC(NCCC)C1C(C)(C)C1(C)C.
What is the InChIKey of N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)but-3-en-1-amine?
The InChIKey is OQWLGGDTWQMCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-7-9-11(15-10-8-2)12-13(3,4)14(12,5)6/h7,11-12,15H,1,8-10H2,2-6H3.
What are the key properties of N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)but-3-en-1-amine?
N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)but-3-en-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)but-3-en-1-amine is sourced from PubChem (CID 115814891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).