2-[2-[(3Z)-5-imino-2-methylpenta-1,3-dien-3-yl]iminopropyl]piperidin-3-amine

C14H24N4 — CID 137471018

IUPAC2-[2-[(3Z)-5-imino-2-methylpenta-1,3-dien-3-yl]iminopropyl]piperidin-3-amine
SMILES[H]/N=C/C=C(\N=C(/C)CC1NCCCC1N)C(=C)C
InChIInChI=1S/C14H24N4/c1-10(2)13(6-7-15)18-11(3)9-14-12(16)5-4-8-17-14/h6-7,12,14-15,17H,1,4-5,8-9,16H2,2-3H3/b13-6-,15-7+,18-11+
InChIKeyARXHZFWQNYXDIW-SNXGVVMSSA-N
MW248.37 g/mol
LogP2.03
Rot. Bonds5

About 2-[2-[(3Z)-5-imino-2-methylpenta-1,3-dien-3-yl]iminopropyl]piperidin-3-amine

2-[2-[(3Z)-5-imino-2-methylpenta-1,3-dien-3-yl]iminopropyl]piperidin-3-amine (PubChem CID 137471018) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[2-[(3Z)-5-imino-2-methylpenta-1,3-dien-3-yl]iminopropyl]piperidin-3-amine.

Molecular Properties

Compound Name2-[2-[(3Z)-5-imino-2-methylpenta-1,3-dien-3-yl]iminopropyl]piperidin-3-amine
PubChem CID137471018
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-[2-[(3Z)-5-imino-2-methylpenta-1,3-dien-3-yl]iminopropyl]piperidin-3-amine
SMILES[H]/N=C/C=C(\N=C(/C)CC1NCCCC1N)C(=C)C
InChIInChI=1S/C14H24N4/c1-10(2)13(6-7-15)18-11(3)9-14-12(16)5-4-8-17-14/h6-7,12,14-15,17H,1,4-5,8-9,16H2,2-3H3/b13-6-,15-7+,18-11+
InChIKeyARXHZFWQNYXDIW-SNXGVVMSSA-N
XLogP2.03
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3Z)-5-imino-2-methylpenta-1,3-dien-3-yl]iminopropyl]piperidin-3-amine?
The IUPAC name of 2-[2-[(3Z)-5-imino-2-methylpenta-1,3-dien-3-yl]iminopropyl]piperidin-3-amine (CID 137471018) is 2-[2-[(3Z)-5-imino-2-methylpenta-1,3-dien-3-yl]iminopropyl]piperidin-3-amine.
What is the SMILES notation for 2-[2-[(3Z)-5-imino-2-methylpenta-1,3-dien-3-yl]iminopropyl]piperidin-3-amine?
The canonical SMILES for 2-[2-[(3Z)-5-imino-2-methylpenta-1,3-dien-3-yl]iminopropyl]piperidin-3-amine is [H]/N=C/C=C(\N=C(/C)CC1NCCCC1N)C(=C)C.
What is the InChIKey of 2-[2-[(3Z)-5-imino-2-methylpenta-1,3-dien-3-yl]iminopropyl]piperidin-3-amine?
The InChIKey is ARXHZFWQNYXDIW-SNXGVVMSSA-N. The full InChI is InChI=1S/C14H24N4/c1-10(2)13(6-7-15)18-11(3)9-14-12(16)5-4-8-17-14/h6-7,12,14-15,17H,1,4-5,8-9,16H2,2-3H3/b13-6-,15-7+,18-11+.
What are the key properties of 2-[2-[(3Z)-5-imino-2-methylpenta-1,3-dien-3-yl]iminopropyl]piperidin-3-amine?
2-[2-[(3Z)-5-imino-2-methylpenta-1,3-dien-3-yl]iminopropyl]piperidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3Z)-5-imino-2-methylpenta-1,3-dien-3-yl]iminopropyl]piperidin-3-amine is sourced from PubChem (CID 137471018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).