(5E)-4,5-bis(prop-2-enyl)nona-1,5,8-trien-4-amine

C15H23N — CID 118307215

IUPAC(5E)-4,5-bis(prop-2-enyl)nona-1,5,8-trien-4-amine
SMILESC=CC/C=C(\CC=C)C(N)(CC=C)CC=C
InChIInChI=1S/C15H23N/c1-5-9-11-14(10-6-2)15(16,12-7-3)13-8-4/h5-8,11H,1-4,9-10,12-13,16H2/b14-11+
InChIKeySADNWADXQNWZTP-SDNWHVSQSA-N
MW217.36 g/mol
LogP3.91
Rot. Bonds9

About (5E)-4,5-bis(prop-2-enyl)nona-1,5,8-trien-4-amine

(5E)-4,5-bis(prop-2-enyl)nona-1,5,8-trien-4-amine (PubChem CID 118307215) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (5E)-4,5-bis(prop-2-enyl)nona-1,5,8-trien-4-amine.

Molecular Properties

Compound Name(5E)-4,5-bis(prop-2-enyl)nona-1,5,8-trien-4-amine
PubChem CID118307215
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(5E)-4,5-bis(prop-2-enyl)nona-1,5,8-trien-4-amine
SMILESC=CC/C=C(\CC=C)C(N)(CC=C)CC=C
InChIInChI=1S/C15H23N/c1-5-9-11-14(10-6-2)15(16,12-7-3)13-8-4/h5-8,11H,1-4,9-10,12-13,16H2/b14-11+
InChIKeySADNWADXQNWZTP-SDNWHVSQSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-amino-6-prop-2-enylnona-1,4,8-trien-5-ol;hydrate
CID 174736866
5,6-dimethylidene-4,7-bis(prop-2-enyl)deca-1,9-diene-4,7-diamine
CID 87118745
4-aminohepta-1,6-dien-4-ol
CID 87970022
(4E)-8-methyl-4-(trifluoromethyl)nona-1,4,7-triene
CID 20817575
2-amino-2-ethylbutanoic acid;but-3-enoic acid
CID 87783840
hepta-1,6-diene-4,4-diamine
CID 21275124
(2R)-2-amino-2-(sulfanylmethyl)pent-4-enamide
CID 87585546
(2R)-2-amino-2-propylpent-4-enoic acid
CID 102284688
(2Z)-hexa-2,5-dien-2-ol
CID 102117953
5-methylnona-1,4,7-triene
CID 59970949
6-amino-5,5,6-trimethylhept-1-en-4-one
CID 116573507
(2R)-2-amino-2-benzylpent-4-enamide
CID 135080853

Frequently Asked Questions

What is the IUPAC name of (5E)-4,5-bis(prop-2-enyl)nona-1,5,8-trien-4-amine?
The IUPAC name of (5E)-4,5-bis(prop-2-enyl)nona-1,5,8-trien-4-amine (CID 118307215) is (5E)-4,5-bis(prop-2-enyl)nona-1,5,8-trien-4-amine.
What is the SMILES notation for (5E)-4,5-bis(prop-2-enyl)nona-1,5,8-trien-4-amine?
The canonical SMILES for (5E)-4,5-bis(prop-2-enyl)nona-1,5,8-trien-4-amine is C=CC/C=C(\CC=C)C(N)(CC=C)CC=C.
What is the InChIKey of (5E)-4,5-bis(prop-2-enyl)nona-1,5,8-trien-4-amine?
The InChIKey is SADNWADXQNWZTP-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H23N/c1-5-9-11-14(10-6-2)15(16,12-7-3)13-8-4/h5-8,11H,1-4,9-10,12-13,16H2/b14-11+.
What are the key properties of (5E)-4,5-bis(prop-2-enyl)nona-1,5,8-trien-4-amine?
(5E)-4,5-bis(prop-2-enyl)nona-1,5,8-trien-4-amine has a molecular weight of 217.36 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4,5-bis(prop-2-enyl)nona-1,5,8-trien-4-amine is sourced from PubChem (CID 118307215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).