N-[(3,3-dimethylcyclopenten-1-yl)methyl]-N-propan-2-ylpropan-2-amine

C14H27N — CID 10104531

IUPACN-[(3,3-dimethylcyclopenten-1-yl)methyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CC1=CC(C)(C)CC1)C(C)C
InChIInChI=1S/C14H27N/c1-11(2)15(12(3)4)10-13-7-8-14(5,6)9-13/h9,11-12H,7-8,10H2,1-6H3
InChIKeyWZSZVKAQOWZGIB-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.85
Rot. Bonds4

About N-[(3,3-dimethylcyclopenten-1-yl)methyl]-N-propan-2-ylpropan-2-amine

N-[(3,3-dimethylcyclopenten-1-yl)methyl]-N-propan-2-ylpropan-2-amine (PubChem CID 10104531) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-[(3,3-dimethylcyclopenten-1-yl)methyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(3,3-dimethylcyclopenten-1-yl)methyl]-N-propan-2-ylpropan-2-amine
PubChem CID10104531
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-[(3,3-dimethylcyclopenten-1-yl)methyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CC1=CC(C)(C)CC1)C(C)C
InChIInChI=1S/C14H27N/c1-11(2)15(12(3)4)10-13-7-8-14(5,6)9-13/h9,11-12H,7-8,10H2,1-6H3
InChIKeyWZSZVKAQOWZGIB-UHFFFAOYSA-N
XLogP3.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
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-[(3,3-dimethylcyclopenten-1-yl)methyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[(3,3-dimethylcyclopenten-1-yl)methyl]-N-propan-2-ylpropan-2-amine (CID 10104531) is N-[(3,3-dimethylcyclopenten-1-yl)methyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[(3,3-dimethylcyclopenten-1-yl)methyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[(3,3-dimethylcyclopenten-1-yl)methyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CC1=CC(C)(C)CC1)C(C)C.
What is the InChIKey of N-[(3,3-dimethylcyclopenten-1-yl)methyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is WZSZVKAQOWZGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-11(2)15(12(3)4)10-13-7-8-14(5,6)9-13/h9,11-12H,7-8,10H2,1-6H3.
What are the key properties of N-[(3,3-dimethylcyclopenten-1-yl)methyl]-N-propan-2-ylpropan-2-amine?
N-[(3,3-dimethylcyclopenten-1-yl)methyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 209.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethylcyclopenten-1-yl)methyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 10104531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).