N,5,6-trimethylhept-1-en-3-amine

C10H21N — CID 134250713

IUPACN,5,6-trimethylhept-1-en-3-amine
SMILESC=CC(CC(C)C(C)C)NC
InChIInChI=1S/C10H21N/c1-6-10(11-5)7-9(4)8(2)3/h6,8-11H,1,7H2,2-5H3
InChIKeyDHLPNLSQXPOIPM-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.44
Rot. Bonds5

About N,5,6-trimethylhept-1-en-3-amine

N,5,6-trimethylhept-1-en-3-amine (PubChem CID 134250713) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N,5,6-trimethylhept-1-en-3-amine.

Molecular Properties

Compound NameN,5,6-trimethylhept-1-en-3-amine
PubChem CID134250713
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN,5,6-trimethylhept-1-en-3-amine
SMILESC=CC(CC(C)C(C)C)NC
InChIInChI=1S/C10H21N/c1-6-10(11-5)7-9(4)8(2)3/h6,8-11H,1,7H2,2-5H3
InChIKeyDHLPNLSQXPOIPM-UHFFFAOYSA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.44
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,5,6-trimethylhept-1-en-3-amine?
The IUPAC name of N,5,6-trimethylhept-1-en-3-amine (CID 134250713) is N,5,6-trimethylhept-1-en-3-amine.
What is the SMILES notation for N,5,6-trimethylhept-1-en-3-amine?
The canonical SMILES for N,5,6-trimethylhept-1-en-3-amine is C=CC(CC(C)C(C)C)NC.
What is the InChIKey of N,5,6-trimethylhept-1-en-3-amine?
The InChIKey is DHLPNLSQXPOIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-6-10(11-5)7-9(4)8(2)3/h6,8-11H,1,7H2,2-5H3.
What are the key properties of N,5,6-trimethylhept-1-en-3-amine?
N,5,6-trimethylhept-1-en-3-amine has a molecular weight of 155.28 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethylhept-1-en-3-amine is sourced from PubChem (CID 134250713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).