N,N,4,5,5-pentamethylhept-1-en-4-amine

C12H25N — CID 146563853

IUPACN,N,4,5,5-pentamethylhept-1-en-4-amine
SMILESC=CCC(C)(N(C)C)C(C)(C)CC
InChIInChI=1S/C12H25N/c1-8-10-12(5,13(6)7)11(3,4)9-2/h8H,1,9-10H2,2-7H3
InChIKeyRNVYEBKKGPTTDK-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.32
Rot. Bonds5

About N,N,4,5,5-pentamethylhept-1-en-4-amine

N,N,4,5,5-pentamethylhept-1-en-4-amine (PubChem CID 146563853) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N,N,4,5,5-pentamethylhept-1-en-4-amine.

Molecular Properties

Compound NameN,N,4,5,5-pentamethylhept-1-en-4-amine
PubChem CID146563853
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN,N,4,5,5-pentamethylhept-1-en-4-amine
SMILESC=CCC(C)(N(C)C)C(C)(C)CC
InChIInChI=1S/C12H25N/c1-8-10-12(5,13(6)7)11(3,4)9-2/h8H,1,9-10H2,2-7H3
InChIKeyRNVYEBKKGPTTDK-UHFFFAOYSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.32
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,4,5,5-pentamethylhept-1-en-4-amine?
The IUPAC name of N,N,4,5,5-pentamethylhept-1-en-4-amine (CID 146563853) is N,N,4,5,5-pentamethylhept-1-en-4-amine.
What is the SMILES notation for N,N,4,5,5-pentamethylhept-1-en-4-amine?
The canonical SMILES for N,N,4,5,5-pentamethylhept-1-en-4-amine is C=CCC(C)(N(C)C)C(C)(C)CC.
What is the InChIKey of N,N,4,5,5-pentamethylhept-1-en-4-amine?
The InChIKey is RNVYEBKKGPTTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-8-10-12(5,13(6)7)11(3,4)9-2/h8H,1,9-10H2,2-7H3.
What are the key properties of N,N,4,5,5-pentamethylhept-1-en-4-amine?
N,N,4,5,5-pentamethylhept-1-en-4-amine has a molecular weight of 183.34 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4,5,5-pentamethylhept-1-en-4-amine is sourced from PubChem (CID 146563853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).