(E)-5,6,6-trimethylhept-4-en-1-amine

C10H21N — CID 144537430

IUPAC(E)-5,6,6-trimethylhept-4-en-1-amine
SMILESC/C(=C\CCCN)C(C)(C)C
InChIInChI=1S/C10H21N/c1-9(10(2,3)4)7-5-6-8-11/h7H,5-6,8,11H2,1-4H3/b9-7+
InChIKeyFZVCHRGOLLRWNC-VQHVLOKHSA-N
MW155.28 g/mol
LogP2.72
Rot. Bonds3

About (E)-5,6,6-trimethylhept-4-en-1-amine

(E)-5,6,6-trimethylhept-4-en-1-amine (PubChem CID 144537430) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (E)-5,6,6-trimethylhept-4-en-1-amine.

Molecular Properties

Compound Name(E)-5,6,6-trimethylhept-4-en-1-amine
PubChem CID144537430
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(E)-5,6,6-trimethylhept-4-en-1-amine
SMILESC/C(=C\CCCN)C(C)(C)C
InChIInChI=1S/C10H21N/c1-9(10(2,3)4)7-5-6-8-11/h7H,5-6,8,11H2,1-4H3/b9-7+
InChIKeyFZVCHRGOLLRWNC-VQHVLOKHSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2,3-trimethylhept-3-ene
CID 73411222
(E)-N,4,5,5-tetramethylhex-3-en-1-amine
CID 83694651
(5E)-2,6,7,7-tetramethylocta-1,5-diene
CID 144537468
6-amino-2-methylhex-2-enamide
CID 54113800
3,3,7,8,8-pentamethylnon-6-en-1-ol
CID 123476241
4-(3-aminopropyl)oct-4-ene-1,8-diamine
CID 20545797
(E)-2,2,3,6-tetramethylhept-3-ene
CID 13070117
4,4,8,9,9-pentamethyl-3-methylidenedeca-1,7-diene
CID 123873270
8-amino-2-methyloct-2-enoic acid
CID 90963841
15-ethylheptadec-14-en-1-amine
CID 171060797
2,3-dimethyltrideca-3,8-dien-2-ol
CID 173250349
propane-1,3-diamine;propane-2,2-diamine
CID 159356345

Frequently Asked Questions

What is the IUPAC name of (E)-5,6,6-trimethylhept-4-en-1-amine?
The IUPAC name of (E)-5,6,6-trimethylhept-4-en-1-amine (CID 144537430) is (E)-5,6,6-trimethylhept-4-en-1-amine.
What is the SMILES notation for (E)-5,6,6-trimethylhept-4-en-1-amine?
The canonical SMILES for (E)-5,6,6-trimethylhept-4-en-1-amine is C/C(=C\CCCN)C(C)(C)C.
What is the InChIKey of (E)-5,6,6-trimethylhept-4-en-1-amine?
The InChIKey is FZVCHRGOLLRWNC-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H21N/c1-9(10(2,3)4)7-5-6-8-11/h7H,5-6,8,11H2,1-4H3/b9-7+.
What are the key properties of (E)-5,6,6-trimethylhept-4-en-1-amine?
(E)-5,6,6-trimethylhept-4-en-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,6,6-trimethylhept-4-en-1-amine is sourced from PubChem (CID 144537430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).