(E)-1-N-ethyl-1-N'-[2-[[(E)-1-(ethylamino)but-1-enyl]amino]ethyl]but-1-ene-1,1-diamine

C14H30N4 — CID 59969080

IUPAC(E)-1-N-ethyl-1-N'-[2-[[(E)-1-(ethylamino)but-1-enyl]amino]ethyl]but-1-ene-1,1-diamine
SMILESCC/C=C(\NCC)NCCN/C(=C/CC)NCC
InChIInChI=1S/C14H30N4/c1-5-9-13(15-7-3)17-11-12-18-14(10-6-2)16-8-4/h9-10,15-18H,5-8,11-12H2,1-4H3/b13-9+,14-10+
InChIKeyRPGBZFIOVAZHNK-UTLPMFLDSA-N
MW254.42 g/mol
LogP1.89
Rot. Bonds11

About (E)-1-N-ethyl-1-N'-[2-[[(E)-1-(ethylamino)but-1-enyl]amino]ethyl]but-1-ene-1,1-diamine

(E)-1-N-ethyl-1-N'-[2-[[(E)-1-(ethylamino)but-1-enyl]amino]ethyl]but-1-ene-1,1-diamine (PubChem CID 59969080) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is (E)-1-N-ethyl-1-N'-[2-[[(E)-1-(ethylamino)but-1-enyl]amino]ethyl]but-1-ene-1,1-diamine.

Molecular Properties

Compound Name(E)-1-N-ethyl-1-N'-[2-[[(E)-1-(ethylamino)but-1-enyl]amino]ethyl]but-1-ene-1,1-diamine
PubChem CID59969080
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name(E)-1-N-ethyl-1-N'-[2-[[(E)-1-(ethylamino)but-1-enyl]amino]ethyl]but-1-ene-1,1-diamine
SMILESCC/C=C(\NCC)NCCN/C(=C/CC)NCC
InChIInChI=1S/C14H30N4/c1-5-9-13(15-7-3)17-11-12-18-14(10-6-2)16-8-4/h9-10,15-18H,5-8,11-12H2,1-4H3/b13-9+,14-10+
InChIKeyRPGBZFIOVAZHNK-UTLPMFLDSA-N
XLogP1.89
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-N-ethyl-1-N'-[2-[[(E)-1-(ethylamino)but-1-enyl]amino]ethyl]but-1-ene-1,1-diamine?
The IUPAC name of (E)-1-N-ethyl-1-N'-[2-[[(E)-1-(ethylamino)but-1-enyl]amino]ethyl]but-1-ene-1,1-diamine (CID 59969080) is (E)-1-N-ethyl-1-N'-[2-[[(E)-1-(ethylamino)but-1-enyl]amino]ethyl]but-1-ene-1,1-diamine.
What is the SMILES notation for (E)-1-N-ethyl-1-N'-[2-[[(E)-1-(ethylamino)but-1-enyl]amino]ethyl]but-1-ene-1,1-diamine?
The canonical SMILES for (E)-1-N-ethyl-1-N'-[2-[[(E)-1-(ethylamino)but-1-enyl]amino]ethyl]but-1-ene-1,1-diamine is CC/C=C(\NCC)NCCN/C(=C/CC)NCC.
What is the InChIKey of (E)-1-N-ethyl-1-N'-[2-[[(E)-1-(ethylamino)but-1-enyl]amino]ethyl]but-1-ene-1,1-diamine?
The InChIKey is RPGBZFIOVAZHNK-UTLPMFLDSA-N. The full InChI is InChI=1S/C14H30N4/c1-5-9-13(15-7-3)17-11-12-18-14(10-6-2)16-8-4/h9-10,15-18H,5-8,11-12H2,1-4H3/b13-9+,14-10+.
What are the key properties of (E)-1-N-ethyl-1-N'-[2-[[(E)-1-(ethylamino)but-1-enyl]amino]ethyl]but-1-ene-1,1-diamine?
(E)-1-N-ethyl-1-N'-[2-[[(E)-1-(ethylamino)but-1-enyl]amino]ethyl]but-1-ene-1,1-diamine has a molecular weight of 254.42 g/mol, XLogP of 1.89, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N-ethyl-1-N'-[2-[[(E)-1-(ethylamino)but-1-enyl]amino]ethyl]but-1-ene-1,1-diamine is sourced from PubChem (CID 59969080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).