N,N-dimethyl-3-methylidenehepta-1,4,6-trien-2-amine

C10H15N — CID 123382379

IUPACN,N-dimethyl-3-methylidenehepta-1,4,6-trien-2-amine
SMILESC=CC=CC(=C)C(=C)N(C)C
InChIInChI=1S/C10H15N/c1-6-7-8-9(2)10(3)11(4)5/h6-8H,1-3H2,4-5H3
InChIKeyYKLHCEXYZRNPGD-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.36
Rot. Bonds4

About N,N-dimethyl-3-methylidenehepta-1,4,6-trien-2-amine

N,N-dimethyl-3-methylidenehepta-1,4,6-trien-2-amine (PubChem CID 123382379) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N,N-dimethyl-3-methylidenehepta-1,4,6-trien-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-methylidenehepta-1,4,6-trien-2-amine
PubChem CID123382379
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN,N-dimethyl-3-methylidenehepta-1,4,6-trien-2-amine
SMILESC=CC=CC(=C)C(=C)N(C)C
InChIInChI=1S/C10H15N/c1-6-7-8-9(2)10(3)11(4)5/h6-8H,1-3H2,4-5H3
InChIKeyYKLHCEXYZRNPGD-UHFFFAOYSA-N
XLogP2.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 585126
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[8-(Dimethylamino)naphth-1-yl]lithium
CID 12956553
N,N-dimethylcyclopenta-1,4-dien-1-amine
CID 17775259
1-Methyl-6-methylidene-2,3-dihydropyridine
CID 58329250
Dimethylaminofulvene
CID 90007951
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
6-(4-fluoropent-2-enylidene)-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 123629047
(3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine
CID 138564061
N-fluoro-N,2,4-trimethylpenta-1,3-dien-3-amine
CID 139341424
(3E,5Z)-N-fluoro-N-methylocta-1,3,5-trien-3-amine
CID 141779060
(2Z,4Z)-3-fluoro-N,N,6-trimethylhepta-2,4,6-trien-2-amine
CID 142309140

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-methylidenehepta-1,4,6-trien-2-amine?
The IUPAC name of N,N-dimethyl-3-methylidenehepta-1,4,6-trien-2-amine (CID 123382379) is N,N-dimethyl-3-methylidenehepta-1,4,6-trien-2-amine.
What is the SMILES notation for N,N-dimethyl-3-methylidenehepta-1,4,6-trien-2-amine?
The canonical SMILES for N,N-dimethyl-3-methylidenehepta-1,4,6-trien-2-amine is C=CC=CC(=C)C(=C)N(C)C.
What is the InChIKey of N,N-dimethyl-3-methylidenehepta-1,4,6-trien-2-amine?
The InChIKey is YKLHCEXYZRNPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-6-7-8-9(2)10(3)11(4)5/h6-8H,1-3H2,4-5H3.
What are the key properties of N,N-dimethyl-3-methylidenehepta-1,4,6-trien-2-amine?
N,N-dimethyl-3-methylidenehepta-1,4,6-trien-2-amine has a molecular weight of 149.24 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-methylidenehepta-1,4,6-trien-2-amine is sourced from PubChem (CID 123382379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).