N,N,5-trimethyl-4-(3-methylpentyl)cyclohepta-1,4,6-trien-1-amine

C16H27N — CID 146240164

IUPACN,N,5-trimethyl-4-(3-methylpentyl)cyclohepta-1,4,6-trien-1-amine
SMILESCCC(C)CCC1=C(C)C=CC(N(C)C)=CC1
InChIInChI=1S/C16H27N/c1-6-13(2)7-9-15-10-12-16(17(4)5)11-8-14(15)3/h8,11-13H,6-7,9-10H2,1-5H3
InChIKeyCZFJMKYHIQEMGY-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.53
Rot. Bonds5

About N,N,5-trimethyl-4-(3-methylpentyl)cyclohepta-1,4,6-trien-1-amine

N,N,5-trimethyl-4-(3-methylpentyl)cyclohepta-1,4,6-trien-1-amine (PubChem CID 146240164) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N,N,5-trimethyl-4-(3-methylpentyl)cyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound NameN,N,5-trimethyl-4-(3-methylpentyl)cyclohepta-1,4,6-trien-1-amine
PubChem CID146240164
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN,N,5-trimethyl-4-(3-methylpentyl)cyclohepta-1,4,6-trien-1-amine
SMILESCCC(C)CCC1=C(C)C=CC(N(C)C)=CC1
InChIInChI=1S/C16H27N/c1-6-13(2)7-9-15-10-12-16(17(4)5)11-8-14(15)3/h8,11-13H,6-7,9-10H2,1-5H3
InChIKeyCZFJMKYHIQEMGY-UHFFFAOYSA-N
XLogP4.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-4-(3-methylpentyl)cyclohepta-1,4,6-trien-1-amine?
The IUPAC name of N,N,5-trimethyl-4-(3-methylpentyl)cyclohepta-1,4,6-trien-1-amine (CID 146240164) is N,N,5-trimethyl-4-(3-methylpentyl)cyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for N,N,5-trimethyl-4-(3-methylpentyl)cyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for N,N,5-trimethyl-4-(3-methylpentyl)cyclohepta-1,4,6-trien-1-amine is CCC(C)CCC1=C(C)C=CC(N(C)C)=CC1.
What is the InChIKey of N,N,5-trimethyl-4-(3-methylpentyl)cyclohepta-1,4,6-trien-1-amine?
The InChIKey is CZFJMKYHIQEMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-13(2)7-9-15-10-12-16(17(4)5)11-8-14(15)3/h8,11-13H,6-7,9-10H2,1-5H3.
What are the key properties of N,N,5-trimethyl-4-(3-methylpentyl)cyclohepta-1,4,6-trien-1-amine?
N,N,5-trimethyl-4-(3-methylpentyl)cyclohepta-1,4,6-trien-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-4-(3-methylpentyl)cyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 146240164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).