N-ethyl-1-imino-4-methyl-1-(3-methylpiperidin-1-yl)pentan-2-amine

C14H29N3 — CID 123932166

IUPACN-ethyl-1-imino-4-methyl-1-(3-methylpiperidin-1-yl)pentan-2-amine
SMILES[H]/N=C(\C(CC(C)C)NCC)N1CCCC(C)C1
InChIInChI=1S/C14H29N3/c1-5-16-13(9-11(2)3)14(15)17-8-6-7-12(4)10-17/h11-13,15-16H,5-10H2,1-4H3/b15-14+
InChIKeyBLAXZZTZLGAHAX-CCEZHUSRSA-N
MW239.41 g/mol
LogP2.72
Rot. Bonds5

About N-ethyl-1-imino-4-methyl-1-(3-methylpiperidin-1-yl)pentan-2-amine

N-ethyl-1-imino-4-methyl-1-(3-methylpiperidin-1-yl)pentan-2-amine (PubChem CID 123932166) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-ethyl-1-imino-4-methyl-1-(3-methylpiperidin-1-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-imino-4-methyl-1-(3-methylpiperidin-1-yl)pentan-2-amine
PubChem CID123932166
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-ethyl-1-imino-4-methyl-1-(3-methylpiperidin-1-yl)pentan-2-amine
SMILES[H]/N=C(\C(CC(C)C)NCC)N1CCCC(C)C1
InChIInChI=1S/C14H29N3/c1-5-16-13(9-11(2)3)14(15)17-8-6-7-12(4)10-17/h11-13,15-16H,5-10H2,1-4H3/b15-14+
InChIKeyBLAXZZTZLGAHAX-CCEZHUSRSA-N
XLogP2.72
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.72
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-ethyl-1-imino-4-methyl-1-(3-methylpiperidin-1-yl)pentan-2-amine?
The IUPAC name of N-ethyl-1-imino-4-methyl-1-(3-methylpiperidin-1-yl)pentan-2-amine (CID 123932166) is N-ethyl-1-imino-4-methyl-1-(3-methylpiperidin-1-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-1-imino-4-methyl-1-(3-methylpiperidin-1-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-1-imino-4-methyl-1-(3-methylpiperidin-1-yl)pentan-2-amine is [H]/N=C(\C(CC(C)C)NCC)N1CCCC(C)C1.
What is the InChIKey of N-ethyl-1-imino-4-methyl-1-(3-methylpiperidin-1-yl)pentan-2-amine?
The InChIKey is BLAXZZTZLGAHAX-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H29N3/c1-5-16-13(9-11(2)3)14(15)17-8-6-7-12(4)10-17/h11-13,15-16H,5-10H2,1-4H3/b15-14+.
What are the key properties of N-ethyl-1-imino-4-methyl-1-(3-methylpiperidin-1-yl)pentan-2-amine?
N-ethyl-1-imino-4-methyl-1-(3-methylpiperidin-1-yl)pentan-2-amine has a molecular weight of 239.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-imino-4-methyl-1-(3-methylpiperidin-1-yl)pentan-2-amine is sourced from PubChem (CID 123932166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).