N-[2-[4-[(2E)-4-aminopenta-2,4-dienyl]piperazin-1-yl]ethyl]-4,4-dimethylpent-1-en-2-amine

C18H34N4 — CID 142510797

IUPACN-[2-[4-[(2E)-4-aminopenta-2,4-dienyl]piperazin-1-yl]ethyl]-4,4-dimethylpent-1-en-2-amine
SMILESC=C(N)/C=C/CN1CCN(CCNC(=C)CC(C)(C)C)CC1
InChIInChI=1S/C18H34N4/c1-16(19)7-6-9-21-11-13-22(14-12-21)10-8-20-17(2)15-18(3,4)5/h6-7,20H,1-2,8-15,19H2,3-5H3/b7-6+
InChIKeyQEWWVAQBSDWZLZ-VOTSOKGWSA-N
MW306.50 g/mol
LogP2.17
Rot. Bonds8

About N-[2-[4-[(2E)-4-aminopenta-2,4-dienyl]piperazin-1-yl]ethyl]-4,4-dimethylpent-1-en-2-amine

N-[2-[4-[(2E)-4-aminopenta-2,4-dienyl]piperazin-1-yl]ethyl]-4,4-dimethylpent-1-en-2-amine (PubChem CID 142510797) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is N-[2-[4-[(2E)-4-aminopenta-2,4-dienyl]piperazin-1-yl]ethyl]-4,4-dimethylpent-1-en-2-amine.

Molecular Properties

Compound NameN-[2-[4-[(2E)-4-aminopenta-2,4-dienyl]piperazin-1-yl]ethyl]-4,4-dimethylpent-1-en-2-amine
PubChem CID142510797
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC NameN-[2-[4-[(2E)-4-aminopenta-2,4-dienyl]piperazin-1-yl]ethyl]-4,4-dimethylpent-1-en-2-amine
SMILESC=C(N)/C=C/CN1CCN(CCNC(=C)CC(C)(C)C)CC1
InChIInChI=1S/C18H34N4/c1-16(19)7-6-9-21-11-13-22(14-12-21)10-8-20-17(2)15-18(3,4)5/h6-7,20H,1-2,8-15,19H2,3-5H3/b7-6+
InChIKeyQEWWVAQBSDWZLZ-VOTSOKGWSA-N
XLogP2.17
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2E)-4-aminopenta-2,4-dienyl]piperazin-1-yl]ethyl]-4,4-dimethylpent-1-en-2-amine?
The IUPAC name of N-[2-[4-[(2E)-4-aminopenta-2,4-dienyl]piperazin-1-yl]ethyl]-4,4-dimethylpent-1-en-2-amine (CID 142510797) is N-[2-[4-[(2E)-4-aminopenta-2,4-dienyl]piperazin-1-yl]ethyl]-4,4-dimethylpent-1-en-2-amine.
What is the SMILES notation for N-[2-[4-[(2E)-4-aminopenta-2,4-dienyl]piperazin-1-yl]ethyl]-4,4-dimethylpent-1-en-2-amine?
The canonical SMILES for N-[2-[4-[(2E)-4-aminopenta-2,4-dienyl]piperazin-1-yl]ethyl]-4,4-dimethylpent-1-en-2-amine is C=C(N)/C=C/CN1CCN(CCNC(=C)CC(C)(C)C)CC1.
What is the InChIKey of N-[2-[4-[(2E)-4-aminopenta-2,4-dienyl]piperazin-1-yl]ethyl]-4,4-dimethylpent-1-en-2-amine?
The InChIKey is QEWWVAQBSDWZLZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H34N4/c1-16(19)7-6-9-21-11-13-22(14-12-21)10-8-20-17(2)15-18(3,4)5/h6-7,20H,1-2,8-15,19H2,3-5H3/b7-6+.
What are the key properties of N-[2-[4-[(2E)-4-aminopenta-2,4-dienyl]piperazin-1-yl]ethyl]-4,4-dimethylpent-1-en-2-amine?
N-[2-[4-[(2E)-4-aminopenta-2,4-dienyl]piperazin-1-yl]ethyl]-4,4-dimethylpent-1-en-2-amine has a molecular weight of 306.50 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2E)-4-aminopenta-2,4-dienyl]piperazin-1-yl]ethyl]-4,4-dimethylpent-1-en-2-amine is sourced from PubChem (CID 142510797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).