4-[3,4-bis(1-aminoethenyl)-2-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-yl]-2-ethylbutan-1-amine

C18H30N4 — CID 155014993

IUPAC4-[3,4-bis(1-aminoethenyl)-2-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-yl]-2-ethylbutan-1-amine
SMILESC=C(N)C1=CC(CCC(CC)CN)C(N=C(C)C)=C1C(=C)N
InChIInChI=1S/C18H30N4/c1-6-14(10-19)7-8-15-9-16(12(4)20)17(13(5)21)18(15)22-11(2)3/h9,14-15H,4-8,10,19-21H2,1-3H3
InChIKeyHCQZEJUOOFDMSA-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.99
Rot. Bonds8

About 4-[3,4-bis(1-aminoethenyl)-2-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-yl]-2-ethylbutan-1-amine

4-[3,4-bis(1-aminoethenyl)-2-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-yl]-2-ethylbutan-1-amine (PubChem CID 155014993) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 4-[3,4-bis(1-aminoethenyl)-2-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-yl]-2-ethylbutan-1-amine.

Molecular Properties

Compound Name4-[3,4-bis(1-aminoethenyl)-2-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-yl]-2-ethylbutan-1-amine
PubChem CID155014993
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name4-[3,4-bis(1-aminoethenyl)-2-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-yl]-2-ethylbutan-1-amine
SMILESC=C(N)C1=CC(CCC(CC)CN)C(N=C(C)C)=C1C(=C)N
InChIInChI=1S/C18H30N4/c1-6-14(10-19)7-8-15-9-16(12(4)20)17(13(5)21)18(15)22-11(2)3/h9,14-15H,4-8,10,19-21H2,1-3H3
InChIKeyHCQZEJUOOFDMSA-UHFFFAOYSA-N
XLogP2.99
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3,4-bis(1-aminoethenyl)-2-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-yl]-2-ethylbutan-1-amine?
The IUPAC name of 4-[3,4-bis(1-aminoethenyl)-2-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-yl]-2-ethylbutan-1-amine (CID 155014993) is 4-[3,4-bis(1-aminoethenyl)-2-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-yl]-2-ethylbutan-1-amine.
What is the SMILES notation for 4-[3,4-bis(1-aminoethenyl)-2-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-yl]-2-ethylbutan-1-amine?
The canonical SMILES for 4-[3,4-bis(1-aminoethenyl)-2-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-yl]-2-ethylbutan-1-amine is C=C(N)C1=CC(CCC(CC)CN)C(N=C(C)C)=C1C(=C)N.
What is the InChIKey of 4-[3,4-bis(1-aminoethenyl)-2-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-yl]-2-ethylbutan-1-amine?
The InChIKey is HCQZEJUOOFDMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-6-14(10-19)7-8-15-9-16(12(4)20)17(13(5)21)18(15)22-11(2)3/h9,14-15H,4-8,10,19-21H2,1-3H3.
What are the key properties of 4-[3,4-bis(1-aminoethenyl)-2-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-yl]-2-ethylbutan-1-amine?
4-[3,4-bis(1-aminoethenyl)-2-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-yl]-2-ethylbutan-1-amine has a molecular weight of 302.47 g/mol, XLogP of 2.99, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,4-bis(1-aminoethenyl)-2-(propan-2-ylideneamino)cyclopenta-2,4-dien-1-yl]-2-ethylbutan-1-amine is sourced from PubChem (CID 155014993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).