(E)-N,N,4,4,7,8,8-heptamethylnon-6-en-1-amine

C16H33N — CID 126633661

IUPAC(E)-N,N,4,4,7,8,8-heptamethylnon-6-en-1-amine
SMILESC/C(=C\CC(C)(C)CCCN(C)C)C(C)(C)C
InChIInChI=1S/C16H33N/c1-14(15(2,3)4)10-12-16(5,6)11-9-13-17(7)8/h10H,9,11-13H2,1-8H3/b14-10+
InChIKeyWJMFEBPFWDVYAS-GXDHUFHOSA-N
MW239.45 g/mol
LogP4.74
Rot. Bonds6

About (E)-N,N,4,4,7,8,8-heptamethylnon-6-en-1-amine

(E)-N,N,4,4,7,8,8-heptamethylnon-6-en-1-amine (PubChem CID 126633661) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is (E)-N,N,4,4,7,8,8-heptamethylnon-6-en-1-amine.

Molecular Properties

Compound Name(E)-N,N,4,4,7,8,8-heptamethylnon-6-en-1-amine
PubChem CID126633661
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name(E)-N,N,4,4,7,8,8-heptamethylnon-6-en-1-amine
SMILESC/C(=C\CC(C)(C)CCCN(C)C)C(C)(C)C
InChIInChI=1S/C16H33N/c1-14(15(2,3)4)10-12-16(5,6)11-9-13-17(7)8/h10H,9,11-13H2,1-8H3/b14-10+
InChIKeyWJMFEBPFWDVYAS-GXDHUFHOSA-N
XLogP4.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.74
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 (E)-N,N,4,4,7,8,8-heptamethylnon-6-en-1-amine?
The IUPAC name of (E)-N,N,4,4,7,8,8-heptamethylnon-6-en-1-amine (CID 126633661) is (E)-N,N,4,4,7,8,8-heptamethylnon-6-en-1-amine.
What is the SMILES notation for (E)-N,N,4,4,7,8,8-heptamethylnon-6-en-1-amine?
The canonical SMILES for (E)-N,N,4,4,7,8,8-heptamethylnon-6-en-1-amine is C/C(=C\CC(C)(C)CCCN(C)C)C(C)(C)C.
What is the InChIKey of (E)-N,N,4,4,7,8,8-heptamethylnon-6-en-1-amine?
The InChIKey is WJMFEBPFWDVYAS-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H33N/c1-14(15(2,3)4)10-12-16(5,6)11-9-13-17(7)8/h10H,9,11-13H2,1-8H3/b14-10+.
What are the key properties of (E)-N,N,4,4,7,8,8-heptamethylnon-6-en-1-amine?
(E)-N,N,4,4,7,8,8-heptamethylnon-6-en-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,4,4,7,8,8-heptamethylnon-6-en-1-amine is sourced from PubChem (CID 126633661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).