N-[(E)-ethylideneamino]-N-methyl-2-piperidin-1-ylethanamine

C10H21N3 — CID 21345707

IUPACN-[(E)-ethylideneamino]-N-methyl-2-piperidin-1-ylethanamine
SMILESC/C=N/N(C)CCN1CCCCC1
InChIInChI=1S/C10H21N3/c1-3-11-12(2)9-10-13-7-5-4-6-8-13/h3H,4-10H2,1-2H3/b11-3+
InChIKeyCSHAXAHJFMLNSP-QDEBKDIKSA-N
MW183.30 g/mol
LogP1.41
Rot. Bonds4

About N-[(E)-ethylideneamino]-N-methyl-2-piperidin-1-ylethanamine

N-[(E)-ethylideneamino]-N-methyl-2-piperidin-1-ylethanamine (PubChem CID 21345707) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is N-[(E)-ethylideneamino]-N-methyl-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(E)-ethylideneamino]-N-methyl-2-piperidin-1-ylethanamine
PubChem CID21345707
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC NameN-[(E)-ethylideneamino]-N-methyl-2-piperidin-1-ylethanamine
SMILESC/C=N/N(C)CCN1CCCCC1
InChIInChI=1S/C10H21N3/c1-3-11-12(2)9-10-13-7-5-4-6-8-13/h3H,4-10H2,1-2H3/b11-3+
InChIKeyCSHAXAHJFMLNSP-QDEBKDIKSA-N
XLogP1.41
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1E)-N-(piperidin-1-yl)ethan-1-imine
CID 9602874
N-Ethylidene-1-piperidinamine
CID 580619
(E)-N-ethylidenepiperidin-1-amine
CID 5371463
ethane;N-(4-methylpiperazin-1-yl)ethanimine
CID 53996455
N-piperidin-1-ylbutan-1-imine
CID 57608923
(E)-2-methyl-N-piperidin-1-ylpropan-1-imine
CID 57733811
(E)-N-(4-propylpiperazin-1-yl)ethanimine
CID 57950808
N-(ethylideneamino)-N-methyl-2-piperidin-1-ylethanamine
CID 73782348
(E)-N-piperidin-1-ylpentan-1-imine
CID 90194021
(Z)-N-(4-propylpiperazin-1-yl)ethanimine
CID 90836574
N'-(4-methylpiperazin-1-yl)-N-pyrrolidin-1-ylethane-1,2-diimine
CID 91569646
N-(1-methylpiperidin-1-ium-1-yl)propan-2-imine
CID 123215959

Frequently Asked Questions

What is the IUPAC name of N-[(E)-ethylideneamino]-N-methyl-2-piperidin-1-ylethanamine?
The IUPAC name of N-[(E)-ethylideneamino]-N-methyl-2-piperidin-1-ylethanamine (CID 21345707) is N-[(E)-ethylideneamino]-N-methyl-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-[(E)-ethylideneamino]-N-methyl-2-piperidin-1-ylethanamine?
The canonical SMILES for N-[(E)-ethylideneamino]-N-methyl-2-piperidin-1-ylethanamine is C/C=N/N(C)CCN1CCCCC1.
What is the InChIKey of N-[(E)-ethylideneamino]-N-methyl-2-piperidin-1-ylethanamine?
The InChIKey is CSHAXAHJFMLNSP-QDEBKDIKSA-N. The full InChI is InChI=1S/C10H21N3/c1-3-11-12(2)9-10-13-7-5-4-6-8-13/h3H,4-10H2,1-2H3/b11-3+.
What are the key properties of N-[(E)-ethylideneamino]-N-methyl-2-piperidin-1-ylethanamine?
N-[(E)-ethylideneamino]-N-methyl-2-piperidin-1-ylethanamine has a molecular weight of 183.30 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-ethylideneamino]-N-methyl-2-piperidin-1-ylethanamine is sourced from PubChem (CID 21345707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).