N,N,4,6-tetramethylhepta-1,5-dien-4-amine

C11H21N — CID 175115464

IUPACN,N,4,6-tetramethylhepta-1,5-dien-4-amine
SMILESC=CCC(C)(C=C(C)C)N(C)C
InChIInChI=1S/C11H21N/c1-7-8-11(4,12(5)6)9-10(2)3/h7,9H,1,8H2,2-6H3
InChIKeyWTJZSPNZKSQRJR-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.85
Rot. Bonds4

About N,N,4,6-tetramethylhepta-1,5-dien-4-amine

N,N,4,6-tetramethylhepta-1,5-dien-4-amine (PubChem CID 175115464) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N,N,4,6-tetramethylhepta-1,5-dien-4-amine.

Molecular Properties

Compound NameN,N,4,6-tetramethylhepta-1,5-dien-4-amine
PubChem CID175115464
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN,N,4,6-tetramethylhepta-1,5-dien-4-amine
SMILESC=CCC(C)(C=C(C)C)N(C)C
InChIInChI=1S/C11H21N/c1-7-8-11(4,12(5)6)9-10(2)3/h7,9H,1,8H2,2-6H3
InChIKeyWTJZSPNZKSQRJR-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.85
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,N,4,6-tetramethylhepta-1,5-dien-4-amine?
The IUPAC name of N,N,4,6-tetramethylhepta-1,5-dien-4-amine (CID 175115464) is N,N,4,6-tetramethylhepta-1,5-dien-4-amine.
What is the SMILES notation for N,N,4,6-tetramethylhepta-1,5-dien-4-amine?
The canonical SMILES for N,N,4,6-tetramethylhepta-1,5-dien-4-amine is C=CCC(C)(C=C(C)C)N(C)C.
What is the InChIKey of N,N,4,6-tetramethylhepta-1,5-dien-4-amine?
The InChIKey is WTJZSPNZKSQRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-7-8-11(4,12(5)6)9-10(2)3/h7,9H,1,8H2,2-6H3.
What are the key properties of N,N,4,6-tetramethylhepta-1,5-dien-4-amine?
N,N,4,6-tetramethylhepta-1,5-dien-4-amine has a molecular weight of 167.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4,6-tetramethylhepta-1,5-dien-4-amine is sourced from PubChem (CID 175115464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).