(3E,5E)-N-methyl-5-[(Z)-prop-1-enyl]-N-propylnona-3,5,7,8-tetraen-1-amine

C16H25N — CID 155119648

IUPAC(3E,5E)-N-methyl-5-[(Z)-prop-1-enyl]-N-propylnona-3,5,7,8-tetraen-1-amine
SMILESC=C=C/C=C(\C=C/C)/C=C/CCN(C)CCC
InChIInChI=1S/C16H25N/c1-5-8-12-16(11-6-2)13-9-10-15-17(4)14-7-3/h6,8-9,11-13H,1,7,10,14-15H2,2-4H3/b11-6-,13-9+,16-12+
InChIKeyNIGZRGVRGWXPDO-QLAJFWFRSA-N
MW231.38 g/mol
LogP4.12
Rot. Bonds8

About (3E,5E)-N-methyl-5-[(Z)-prop-1-enyl]-N-propylnona-3,5,7,8-tetraen-1-amine

(3E,5E)-N-methyl-5-[(Z)-prop-1-enyl]-N-propylnona-3,5,7,8-tetraen-1-amine (PubChem CID 155119648) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (3E,5E)-N-methyl-5-[(Z)-prop-1-enyl]-N-propylnona-3,5,7,8-tetraen-1-amine.

Molecular Properties

Compound Name(3E,5E)-N-methyl-5-[(Z)-prop-1-enyl]-N-propylnona-3,5,7,8-tetraen-1-amine
PubChem CID155119648
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(3E,5E)-N-methyl-5-[(Z)-prop-1-enyl]-N-propylnona-3,5,7,8-tetraen-1-amine
SMILESC=C=C/C=C(\C=C/C)/C=C/CCN(C)CCC
InChIInChI=1S/C16H25N/c1-5-8-12-16(11-6-2)13-9-10-15-17(4)14-7-3/h6,8-9,11-13H,1,7,10,14-15H2,2-4H3/b11-6-,13-9+,16-12+
InChIKeyNIGZRGVRGWXPDO-QLAJFWFRSA-N
XLogP4.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.12
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

ethane;(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5-triene
CID 143078245
(Z)-N,6,6-trimethyl-N-propylhept-3-en-1-amine
CID 130370580
propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene
CID 143651334
N-methyl-N-propylpent-4-en-1-amine
CID 91551262
(E)-N-ethyl-N-methylpent-3-en-1-amine
CID 147558495
N-methyl-N-propylbut-2-en-1-amine
CID 123499797
N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787
N-methyl-6-methylidene-N-octyloctadecan-1-amine
CID 154642833
N-methyl-N-propyldecan-1-amine
CID 13122225
(3Z,5Z,8Z)-N,N-dimethyl-7-methylidenedeca-3,5,8-trien-1-amine
CID 155374096
4-[methyl(propyl)amino]but-2-enoic acid
CID 76941132
N,4-dimethyl-3-methylidene-N-propyl-4-silylpentan-1-amine
CID 173072423

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-N-methyl-5-[(Z)-prop-1-enyl]-N-propylnona-3,5,7,8-tetraen-1-amine?
The IUPAC name of (3E,5E)-N-methyl-5-[(Z)-prop-1-enyl]-N-propylnona-3,5,7,8-tetraen-1-amine (CID 155119648) is (3E,5E)-N-methyl-5-[(Z)-prop-1-enyl]-N-propylnona-3,5,7,8-tetraen-1-amine.
What is the SMILES notation for (3E,5E)-N-methyl-5-[(Z)-prop-1-enyl]-N-propylnona-3,5,7,8-tetraen-1-amine?
The canonical SMILES for (3E,5E)-N-methyl-5-[(Z)-prop-1-enyl]-N-propylnona-3,5,7,8-tetraen-1-amine is C=C=C/C=C(\C=C/C)/C=C/CCN(C)CCC.
What is the InChIKey of (3E,5E)-N-methyl-5-[(Z)-prop-1-enyl]-N-propylnona-3,5,7,8-tetraen-1-amine?
The InChIKey is NIGZRGVRGWXPDO-QLAJFWFRSA-N. The full InChI is InChI=1S/C16H25N/c1-5-8-12-16(11-6-2)13-9-10-15-17(4)14-7-3/h6,8-9,11-13H,1,7,10,14-15H2,2-4H3/b11-6-,13-9+,16-12+.
What are the key properties of (3E,5E)-N-methyl-5-[(Z)-prop-1-enyl]-N-propylnona-3,5,7,8-tetraen-1-amine?
(3E,5E)-N-methyl-5-[(Z)-prop-1-enyl]-N-propylnona-3,5,7,8-tetraen-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-N-methyl-5-[(Z)-prop-1-enyl]-N-propylnona-3,5,7,8-tetraen-1-amine is sourced from PubChem (CID 155119648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).