N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine

C10H20N2 — CID 144734718

IUPACN,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine
SMILESC=C/C=C(N)\C=C/C.CN(C)C
InChIInChI=1S/C7H11N.C3H9N/c1-3-5-7(8)6-4-2;1-4(2)3/h3-6H,1,8H2,2H3;1-3H3/b6-4-,7-5+;
InChIKeyPMFKGYYPXMKZDO-ZMVRXXEHSA-N
MW168.28 g/mol
LogP1.77
Rot. Bonds2

About N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine

N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine (PubChem CID 144734718) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine.

Molecular Properties

Compound NameN,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine
PubChem CID144734718
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine
SMILESC=C/C=C(N)\C=C/C.CN(C)C
InChIInChI=1S/C7H11N.C3H9N/c1-3-5-7(8)6-4-2;1-4(2)3/h3-6H,1,8H2,2H3;1-3H3/b6-4-,7-5+;
InChIKeyPMFKGYYPXMKZDO-ZMVRXXEHSA-N
XLogP1.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725
ethane;[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine
CID 142089617
(2Z,4E,6E)-octa-2,4,6-trien-4-amine
CID 89113450
N,N-dimethylhepta-1,3,5-trien-4-amine
CID 72511358
(3E,5Z)-N-iodohepta-1,3,5-trien-4-amine
CID 144727165
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]thiohydroxylamine
CID 143724474
(1E,3E,5Z)-4-aminohepta-1,3,5-trien-1-ol
CID 88558814
(3E)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-amine
CID 134569652
(3E,5Z)-8-methyl-7-methylidenenona-1,3,5-trien-4-amine
CID 144536498
(3E,5Z)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hepta-1,3,5-trien-4-amine
CID 139420267
(3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene
CID 21336128
(3E)-2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide
CID 142824224

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine?
The IUPAC name of N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine (CID 144734718) is N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine.
What is the SMILES notation for N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine?
The canonical SMILES for N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine is C=C/C=C(N)\C=C/C.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine?
The InChIKey is PMFKGYYPXMKZDO-ZMVRXXEHSA-N. The full InChI is InChI=1S/C7H11N.C3H9N/c1-3-5-7(8)6-4-2;1-4(2)3/h3-6H,1,8H2,2H3;1-3H3/b6-4-,7-5+;.
What are the key properties of N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine?
N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine has a molecular weight of 168.28 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine is sourced from PubChem (CID 144734718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).