(3E,5Z)-2-methyl-N-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-1,3,5-trien-3-amine

C14H23N — CID 156752662

IUPAC(3E,5Z)-2-methyl-N-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-1,3,5-trien-3-amine
SMILESC=C(C)/C(=C\C=C/C)N(/C=C\C)C(C)C
InChIInChI=1S/C14H23N/c1-7-9-10-14(12(3)4)15(11-8-2)13(5)6/h7-11,13H,3H2,1-2,4-6H3/b9-7-,11-8-,14-10+
InChIKeyYBXFQSHHNWABRI-GUWVGYBZSA-N
MW205.34 g/mol
LogP4.27
Rot. Bonds5

About (3E,5Z)-2-methyl-N-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-1,3,5-trien-3-amine

(3E,5Z)-2-methyl-N-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-1,3,5-trien-3-amine (PubChem CID 156752662) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (3E,5Z)-2-methyl-N-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5Z)-2-methyl-N-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-1,3,5-trien-3-amine
PubChem CID156752662
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(3E,5Z)-2-methyl-N-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-1,3,5-trien-3-amine
SMILESC=C(C)/C(=C\C=C/C)N(/C=C\C)C(C)C
InChIInChI=1S/C14H23N/c1-7-9-10-14(12(3)4)15(11-8-2)13(5)6/h7-11,13H,3H2,1-2,4-6H3/b9-7-,11-8-,14-10+
InChIKeyYBXFQSHHNWABRI-GUWVGYBZSA-N
XLogP4.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.27
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

hexa-2,4-diene-2-sulfonic acid
CID 91299150
(3E,5Z)-2-methylhepta-1,3,5-triene-3-sulfonamide
CID 142175169
(3E,5Z)-3-chloro-2-methylhepta-1,3,5-triene;ethane
CID 145128135
(2Z,4Z)-7-methyl-5-prop-1-en-2-ylnona-2,4-diene
CID 145116686
(4E,6Z)-4-fluoro-2-methyl-3-methylideneocta-1,4,6-triene
CID 144513621
ethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene
CID 142182203
ethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene
CID 153392422
(3E,5Z)-N-but-3-en-2-ylhepta-1,3,5-trien-3-amine
CID 126490180
methane;(2Z,4E,6E,8E)-5-prop-1-en-2-yldeca-2,4,6,8-tetraene
CID 163241404
(2Z,4E)-5-bromo-7-methyl-6-methylideneocta-2,4-diene
CID 172586692
(2Z,4Z)-6-fluoro-5-methylhepta-2,4-diene
CID 143911112
3-fluoro-5-[1-[[(Z)-prop-1-enyl]-prop-1-en-2-ylamino]ethyl]phenol
CID 155002866

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-2-methyl-N-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-1,3,5-trien-3-amine?
The IUPAC name of (3E,5Z)-2-methyl-N-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-1,3,5-trien-3-amine (CID 156752662) is (3E,5Z)-2-methyl-N-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5Z)-2-methyl-N-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5Z)-2-methyl-N-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-1,3,5-trien-3-amine is C=C(C)/C(=C\C=C/C)N(/C=C\C)C(C)C.
What is the InChIKey of (3E,5Z)-2-methyl-N-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-1,3,5-trien-3-amine?
The InChIKey is YBXFQSHHNWABRI-GUWVGYBZSA-N. The full InChI is InChI=1S/C14H23N/c1-7-9-10-14(12(3)4)15(11-8-2)13(5)6/h7-11,13H,3H2,1-2,4-6H3/b9-7-,11-8-,14-10+.
What are the key properties of (3E,5Z)-2-methyl-N-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-1,3,5-trien-3-amine?
(3E,5Z)-2-methyl-N-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-1,3,5-trien-3-amine has a molecular weight of 205.34 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-2-methyl-N-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-1,3,5-trien-3-amine is sourced from PubChem (CID 156752662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).