N,3-dimethylbut-3-en-1-amine;1-methyl-3-(3-methylbut-3-enyl)cyclopentane

C17H33N — CID 143332988

IUPACN,3-dimethylbut-3-en-1-amine;1-methyl-3-(3-methylbut-3-enyl)cyclopentane
SMILESC=C(C)CCC1CCC(C)C1.C=C(C)CCNC
InChIInChI=1S/C11H20.C6H13N/c1-9(2)4-6-11-7-5-10(3)8-11;1-6(2)4-5-7-3/h10-11H,1,4-8H2,2-3H3;7H,1,4-5H2,2-3H3
InChIKeyCOCYNCPSCRFWBV-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.95
Rot. Bonds6

About N,3-dimethylbut-3-en-1-amine;1-methyl-3-(3-methylbut-3-enyl)cyclopentane

N,3-dimethylbut-3-en-1-amine;1-methyl-3-(3-methylbut-3-enyl)cyclopentane (PubChem CID 143332988) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N,3-dimethylbut-3-en-1-amine;1-methyl-3-(3-methylbut-3-enyl)cyclopentane.

Molecular Properties

Compound NameN,3-dimethylbut-3-en-1-amine;1-methyl-3-(3-methylbut-3-enyl)cyclopentane
PubChem CID143332988
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN,3-dimethylbut-3-en-1-amine;1-methyl-3-(3-methylbut-3-enyl)cyclopentane
SMILESC=C(C)CCC1CCC(C)C1.C=C(C)CCNC
InChIInChI=1S/C11H20.C6H13N/c1-9(2)4-6-11-7-5-10(3)8-11;1-6(2)4-5-7-3/h10-11H,1,4-8H2,2-3H3;7H,1,4-5H2,2-3H3
InChIKeyCOCYNCPSCRFWBV-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.95
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,3-dimethylbut-3-en-1-amine;1-methyl-3-(3-methylbut-3-enyl)cyclopentane?
The IUPAC name of N,3-dimethylbut-3-en-1-amine;1-methyl-3-(3-methylbut-3-enyl)cyclopentane (CID 143332988) is N,3-dimethylbut-3-en-1-amine;1-methyl-3-(3-methylbut-3-enyl)cyclopentane.
What is the SMILES notation for N,3-dimethylbut-3-en-1-amine;1-methyl-3-(3-methylbut-3-enyl)cyclopentane?
The canonical SMILES for N,3-dimethylbut-3-en-1-amine;1-methyl-3-(3-methylbut-3-enyl)cyclopentane is C=C(C)CCC1CCC(C)C1.C=C(C)CCNC.
What is the InChIKey of N,3-dimethylbut-3-en-1-amine;1-methyl-3-(3-methylbut-3-enyl)cyclopentane?
The InChIKey is COCYNCPSCRFWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20.C6H13N/c1-9(2)4-6-11-7-5-10(3)8-11;1-6(2)4-5-7-3/h10-11H,1,4-8H2,2-3H3;7H,1,4-5H2,2-3H3.
What are the key properties of N,3-dimethylbut-3-en-1-amine;1-methyl-3-(3-methylbut-3-enyl)cyclopentane?
N,3-dimethylbut-3-en-1-amine;1-methyl-3-(3-methylbut-3-enyl)cyclopentane has a molecular weight of 251.46 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylbut-3-en-1-amine;1-methyl-3-(3-methylbut-3-enyl)cyclopentane is sourced from PubChem (CID 143332988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).