(3E)-6,6-dimethyl-5-methylidenehepta-1,3-dien-4-amine

C10H17N — CID 155692973

IUPAC(3E)-6,6-dimethyl-5-methylidenehepta-1,3-dien-4-amine
SMILESC=C/C=C(/N)C(=C)C(C)(C)C
InChIInChI=1S/C10H17N/c1-6-7-9(11)8(2)10(3,4)5/h6-7H,1-2,11H2,3-5H3/b9-7+
InChIKeyZMQWOVBUCBYQTF-VQHVLOKHSA-N
MW151.25 g/mol
LogP2.62
Rot. Bonds2

About (3E)-6,6-dimethyl-5-methylidenehepta-1,3-dien-4-amine

(3E)-6,6-dimethyl-5-methylidenehepta-1,3-dien-4-amine (PubChem CID 155692973) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (3E)-6,6-dimethyl-5-methylidenehepta-1,3-dien-4-amine.

Molecular Properties

Compound Name(3E)-6,6-dimethyl-5-methylidenehepta-1,3-dien-4-amine
PubChem CID155692973
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(3E)-6,6-dimethyl-5-methylidenehepta-1,3-dien-4-amine
SMILESC=C/C=C(/N)C(=C)C(C)(C)C
InChIInChI=1S/C10H17N/c1-6-7-9(11)8(2)10(3,4)5/h6-7H,1-2,11H2,3-5H3/b9-7+
InChIKeyZMQWOVBUCBYQTF-VQHVLOKHSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-2-chlorohexa-1,3,5-trien-3-amine
CID 156824437
(3E)-2-N,2-N-dimethylhexa-1,3,5-triene-2,3-diamine
CID 130371607
(2E,4E)-4-bromohepta-2,4,6-trien-3-amine
CID 135198890
(2Z)-2-aminopenta-2,4-dienamide
CID 88558803
3,3-dimethylbut-1-en-2-amine
CID 15393104
(3E)-2-methoxy-2-methylhexa-3,5-dien-3-amine
CID 139378217
6,6-dimethyl-5-methylidenehepta-1,3-diene
CID 72571250
(2Z,3E)-2-ethylidenehexa-3,5-diene-1,3-diamine
CID 143142825
(3E,5E)-6-methyl-7-methylimino-5-prop-1-en-2-ylhepta-1,3,5-trien-4-amine
CID 156736104
(3E,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-trien-4-amine
CID 166907287
(3E)-4-methoxy-5,5-dimethylhexa-1,3-diene
CID 14045263
(3Z)-N,N,2,2-tetramethylhexa-3,5-dien-3-amine
CID 129256004

Frequently Asked Questions

What is the IUPAC name of (3E)-6,6-dimethyl-5-methylidenehepta-1,3-dien-4-amine?
The IUPAC name of (3E)-6,6-dimethyl-5-methylidenehepta-1,3-dien-4-amine (CID 155692973) is (3E)-6,6-dimethyl-5-methylidenehepta-1,3-dien-4-amine.
What is the SMILES notation for (3E)-6,6-dimethyl-5-methylidenehepta-1,3-dien-4-amine?
The canonical SMILES for (3E)-6,6-dimethyl-5-methylidenehepta-1,3-dien-4-amine is C=C/C=C(/N)C(=C)C(C)(C)C.
What is the InChIKey of (3E)-6,6-dimethyl-5-methylidenehepta-1,3-dien-4-amine?
The InChIKey is ZMQWOVBUCBYQTF-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H17N/c1-6-7-9(11)8(2)10(3,4)5/h6-7H,1-2,11H2,3-5H3/b9-7+.
What are the key properties of (3E)-6,6-dimethyl-5-methylidenehepta-1,3-dien-4-amine?
(3E)-6,6-dimethyl-5-methylidenehepta-1,3-dien-4-amine has a molecular weight of 151.25 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6,6-dimethyl-5-methylidenehepta-1,3-dien-4-amine is sourced from PubChem (CID 155692973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).