(3Z)-N,N,4-trimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine

C10H18N2 — CID 142957123

IUPAC(3Z)-N,N,4-trimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine
SMILESC=C/C(C)=C(/CCN(C)C)N=C
InChIInChI=1S/C10H18N2/c1-6-9(2)10(11-3)7-8-12(4)5/h6H,1,3,7-8H2,2,4-5H3/b10-9-
InChIKeyTXIYWDZRBJMJPR-KTKRTIGZSA-N
MW166.27 g/mol
LogP2.10
Rot. Bonds5

About (3Z)-N,N,4-trimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine

(3Z)-N,N,4-trimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine (PubChem CID 142957123) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (3Z)-N,N,4-trimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-N,N,4-trimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine
PubChem CID142957123
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(3Z)-N,N,4-trimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine
SMILESC=C/C(C)=C(/CCN(C)C)N=C
InChIInChI=1S/C10H18N2/c1-6-9(2)10(11-3)7-8-12(4)5/h6H,1,3,7-8H2,2,4-5H3/b10-9-
InChIKeyTXIYWDZRBJMJPR-KTKRTIGZSA-N
XLogP2.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5Z)-4-fluoro-3-(methylideneamino)-N,N-dipropylhepta-3,5-dien-1-amine
CID 139471562
N-[1-iodo-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-4-yl]methanimine
CID 126687783
(3Z)-N,N-dimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine
CID 143071601
ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine
CID 143431654
N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine
CID 143431655
(3Z)-N,N-dimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine;ethane
CID 143687581
N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine
CID 143744517
ethane;N-(5-ethenyl-1-methyl-2,3-dihydropyrrol-4-yl)methanimine
CID 143760381
ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine
CID 143785546
ethane;N-(5-ethenyl-1-ethyl-2,3-dihydropyrrol-4-yl)methanimine
CID 143785555
ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine
CID 143785621
ethane;N-[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine
CID 144600040

Frequently Asked Questions

What is the IUPAC name of (3Z)-N,N,4-trimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine?
The IUPAC name of (3Z)-N,N,4-trimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine (CID 142957123) is (3Z)-N,N,4-trimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine.
What is the SMILES notation for (3Z)-N,N,4-trimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine?
The canonical SMILES for (3Z)-N,N,4-trimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine is C=C/C(C)=C(/CCN(C)C)N=C.
What is the InChIKey of (3Z)-N,N,4-trimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine?
The InChIKey is TXIYWDZRBJMJPR-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-9(2)10(11-3)7-8-12(4)5/h6H,1,3,7-8H2,2,4-5H3/b10-9-.
What are the key properties of (3Z)-N,N,4-trimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine?
(3Z)-N,N,4-trimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,N,4-trimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine is sourced from PubChem (CID 142957123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).