N,N,3-trimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-amine

C16H31N — CID 138526483

IUPACN,N,3-trimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-amine
SMILESCC1=CCC(CCC(C)C(C)N(C)C)C1(C)C
InChIInChI=1S/C16H31N/c1-12(14(3)17(6)7)8-10-15-11-9-13(2)16(15,4)5/h9,12,14-15H,8,10-11H2,1-7H3
InChIKeyRDDLBJFLAXAISZ-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.35
Rot. Bonds5

About N,N,3-trimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-amine

N,N,3-trimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-amine (PubChem CID 138526483) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N,N,3-trimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-amine.

Molecular Properties

Compound NameN,N,3-trimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-amine
PubChem CID138526483
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN,N,3-trimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-amine
SMILESCC1=CCC(CCC(C)C(C)N(C)C)C1(C)C
InChIInChI=1S/C16H31N/c1-12(14(3)17(6)7)8-10-15-11-9-13(2)16(15,4)5/h9,12,14-15H,8,10-11H2,1-7H3
InChIKeyRDDLBJFLAXAISZ-UHFFFAOYSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.35
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,N,3-trimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-amine?
The IUPAC name of N,N,3-trimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-amine (CID 138526483) is N,N,3-trimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-amine.
What is the SMILES notation for N,N,3-trimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-amine?
The canonical SMILES for N,N,3-trimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-amine is CC1=CCC(CCC(C)C(C)N(C)C)C1(C)C.
What is the InChIKey of N,N,3-trimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-amine?
The InChIKey is RDDLBJFLAXAISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-12(14(3)17(6)7)8-10-15-11-9-13(2)16(15,4)5/h9,12,14-15H,8,10-11H2,1-7H3.
What are the key properties of N,N,3-trimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-amine?
N,N,3-trimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-amine has a molecular weight of 237.43 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-amine is sourced from PubChem (CID 138526483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).