N-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylpentan-3-amine

C16H31N3 — CID 167047788

IUPACN-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylpentan-3-amine
SMILES[H]/N=C(\C=C(\C)NC(CC)C(C)C)N1CCCCC1C
InChIInChI=1S/C16H31N3/c1-6-15(12(2)3)18-13(4)11-16(17)19-10-8-7-9-14(19)5/h11-12,14-15,17-18H,6-10H2,1-5H3/b13-11-,17-16+
InChIKeyCWHNPYLLIMPMNF-YHQKBTMFSA-N
MW265.44 g/mol
LogP3.77
Rot. Bonds5

About N-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylpentan-3-amine

N-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylpentan-3-amine (PubChem CID 167047788) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylpentan-3-amine
PubChem CID167047788
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylpentan-3-amine
SMILES[H]/N=C(\C=C(\C)NC(CC)C(C)C)N1CCCCC1C
InChIInChI=1S/C16H31N3/c1-6-15(12(2)3)18-13(4)11-16(17)19-10-8-7-9-14(19)5/h11-12,14-15,17-18H,6-10H2,1-5H3/b13-11-,17-16+
InChIKeyCWHNPYLLIMPMNF-YHQKBTMFSA-N
XLogP3.77
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylpentan-3-amine?
The IUPAC name of N-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylpentan-3-amine (CID 167047788) is N-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylpentan-3-amine?
The canonical SMILES for N-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylpentan-3-amine is [H]/N=C(\C=C(\C)NC(CC)C(C)C)N1CCCCC1C.
What is the InChIKey of N-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylpentan-3-amine?
The InChIKey is CWHNPYLLIMPMNF-YHQKBTMFSA-N. The full InChI is InChI=1S/C16H31N3/c1-6-15(12(2)3)18-13(4)11-16(17)19-10-8-7-9-14(19)5/h11-12,14-15,17-18H,6-10H2,1-5H3/b13-11-,17-16+.
What are the key properties of N-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylpentan-3-amine?
N-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylpentan-3-amine has a molecular weight of 265.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-yl]-2-methylpentan-3-amine is sourced from PubChem (CID 167047788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).