(3Z,5E,7E)-3-[amino(ethyl)amino]-8-ethynyl-N,5,9-trimethyldeca-3,5,7,9-tetraen-4-amine

C17H27N3 — CID 146518019

IUPAC(3Z,5E,7E)-3-[amino(ethyl)amino]-8-ethynyl-N,5,9-trimethyldeca-3,5,7,9-tetraen-4-amine
SMILESC#C/C(=C/C=C(C)/C(NC)=C(\CC)N(N)CC)C(=C)C
InChIInChI=1S/C17H27N3/c1-8-15(13(4)5)12-11-14(6)17(19-7)16(9-2)20(18)10-3/h1,11-12,19H,4,9-10,18H2,2-3,5-7H3/b14-11+,15-12-,17-16-
InChIKeyHHWMZCRJEMPNJH-OFCGQQOMSA-N
MW273.42 g/mol
LogP3.11
Rot. Bonds7

About (3Z,5E,7E)-3-[amino(ethyl)amino]-8-ethynyl-N,5,9-trimethyldeca-3,5,7,9-tetraen-4-amine

(3Z,5E,7E)-3-[amino(ethyl)amino]-8-ethynyl-N,5,9-trimethyldeca-3,5,7,9-tetraen-4-amine (PubChem CID 146518019) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is (3Z,5E,7E)-3-[amino(ethyl)amino]-8-ethynyl-N,5,9-trimethyldeca-3,5,7,9-tetraen-4-amine.

Molecular Properties

Compound Name(3Z,5E,7E)-3-[amino(ethyl)amino]-8-ethynyl-N,5,9-trimethyldeca-3,5,7,9-tetraen-4-amine
PubChem CID146518019
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name(3Z,5E,7E)-3-[amino(ethyl)amino]-8-ethynyl-N,5,9-trimethyldeca-3,5,7,9-tetraen-4-amine
SMILESC#C/C(=C/C=C(C)/C(NC)=C(\CC)N(N)CC)C(=C)C
InChIInChI=1S/C17H27N3/c1-8-15(13(4)5)12-11-14(6)17(19-7)16(9-2)20(18)10-3/h1,11-12,19H,4,9-10,18H2,2-3,5-7H3/b14-11+,15-12-,17-16-
InChIKeyHHWMZCRJEMPNJH-OFCGQQOMSA-N
XLogP3.11
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E,7E)-3-[amino(ethyl)amino]-8-ethynyl-N,5,9-trimethyldeca-3,5,7,9-tetraen-4-amine?
The IUPAC name of (3Z,5E,7E)-3-[amino(ethyl)amino]-8-ethynyl-N,5,9-trimethyldeca-3,5,7,9-tetraen-4-amine (CID 146518019) is (3Z,5E,7E)-3-[amino(ethyl)amino]-8-ethynyl-N,5,9-trimethyldeca-3,5,7,9-tetraen-4-amine.
What is the SMILES notation for (3Z,5E,7E)-3-[amino(ethyl)amino]-8-ethynyl-N,5,9-trimethyldeca-3,5,7,9-tetraen-4-amine?
The canonical SMILES for (3Z,5E,7E)-3-[amino(ethyl)amino]-8-ethynyl-N,5,9-trimethyldeca-3,5,7,9-tetraen-4-amine is C#C/C(=C/C=C(C)/C(NC)=C(\CC)N(N)CC)C(=C)C.
What is the InChIKey of (3Z,5E,7E)-3-[amino(ethyl)amino]-8-ethynyl-N,5,9-trimethyldeca-3,5,7,9-tetraen-4-amine?
The InChIKey is HHWMZCRJEMPNJH-OFCGQQOMSA-N. The full InChI is InChI=1S/C17H27N3/c1-8-15(13(4)5)12-11-14(6)17(19-7)16(9-2)20(18)10-3/h1,11-12,19H,4,9-10,18H2,2-3,5-7H3/b14-11+,15-12-,17-16-.
What are the key properties of (3Z,5E,7E)-3-[amino(ethyl)amino]-8-ethynyl-N,5,9-trimethyldeca-3,5,7,9-tetraen-4-amine?
(3Z,5E,7E)-3-[amino(ethyl)amino]-8-ethynyl-N,5,9-trimethyldeca-3,5,7,9-tetraen-4-amine has a molecular weight of 273.42 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,7E)-3-[amino(ethyl)amino]-8-ethynyl-N,5,9-trimethyldeca-3,5,7,9-tetraen-4-amine is sourced from PubChem (CID 146518019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).