(3-ethylhex-5-enylamino)-bis(prop-2-enyl)azanium

C14H27N2+ — CID 173184858

IUPAC(3-ethylhex-5-enylamino)-bis(prop-2-enyl)azanium
SMILESC=CCC(CC)CCN[NH+](CC=C)CC=C
InChIInChI=1S/C14H26N2/c1-5-9-14(8-4)10-11-15-16(12-6-2)13-7-3/h5-7,14-15H,1-3,8-13H2,4H3/p+1
InChIKeyLQHKDUSFDLMRPC-UHFFFAOYSA-O
MW223.38 g/mol
LogP1.74
Rot. Bonds11

About (3-ethylhex-5-enylamino)-bis(prop-2-enyl)azanium

(3-ethylhex-5-enylamino)-bis(prop-2-enyl)azanium (PubChem CID 173184858) has the molecular formula C14H27N2+ and a molecular weight of 223.38 g/mol. Its IUPAC name is (3-ethylhex-5-enylamino)-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Name(3-ethylhex-5-enylamino)-bis(prop-2-enyl)azanium
PubChem CID173184858
Molecular FormulaC14H27N2+
Molecular Weight223.38 g/mol
Exact Mass223.22
IUPAC Name(3-ethylhex-5-enylamino)-bis(prop-2-enyl)azanium
SMILESC=CCC(CC)CCN[NH+](CC=C)CC=C
InChIInChI=1S/C14H26N2/c1-5-9-14(8-4)10-11-15-16(12-6-2)13-7-3/h5-7,14-15H,1-3,8-13H2,4H3/p+1
InChIKeyLQHKDUSFDLMRPC-UHFFFAOYSA-O
XLogP1.74
TPSA16.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-ethylhex-5-enylamino)-bis(prop-2-enyl)azanium?
The IUPAC name of (3-ethylhex-5-enylamino)-bis(prop-2-enyl)azanium (CID 173184858) is (3-ethylhex-5-enylamino)-bis(prop-2-enyl)azanium.
What is the SMILES notation for (3-ethylhex-5-enylamino)-bis(prop-2-enyl)azanium?
The canonical SMILES for (3-ethylhex-5-enylamino)-bis(prop-2-enyl)azanium is C=CCC(CC)CCN[NH+](CC=C)CC=C.
What is the InChIKey of (3-ethylhex-5-enylamino)-bis(prop-2-enyl)azanium?
The InChIKey is LQHKDUSFDLMRPC-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H26N2/c1-5-9-14(8-4)10-11-15-16(12-6-2)13-7-3/h5-7,14-15H,1-3,8-13H2,4H3/p+1.
What are the key properties of (3-ethylhex-5-enylamino)-bis(prop-2-enyl)azanium?
(3-ethylhex-5-enylamino)-bis(prop-2-enyl)azanium has a molecular weight of 223.38 g/mol, XLogP of 1.74, 11 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylhex-5-enylamino)-bis(prop-2-enyl)azanium is sourced from PubChem (CID 173184858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).