N-ethyl-2-methylidene-N-(piperidin-4-ylmethyl)butan-1-amine

C13H26N2 — CID 79716490

IUPACN-ethyl-2-methylidene-N-(piperidin-4-ylmethyl)butan-1-amine
SMILESC=C(CC)CN(CC)CC1CCNCC1
InChIInChI=1S/C13H26N2/c1-4-12(3)10-15(5-2)11-13-6-8-14-9-7-13/h13-14H,3-11H2,1-2H3
InChIKeyHUIXVIZUSJBGQT-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.27
Rot. Bonds6

About N-ethyl-2-methylidene-N-(piperidin-4-ylmethyl)butan-1-amine

N-ethyl-2-methylidene-N-(piperidin-4-ylmethyl)butan-1-amine (PubChem CID 79716490) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-ethyl-2-methylidene-N-(piperidin-4-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methylidene-N-(piperidin-4-ylmethyl)butan-1-amine
PubChem CID79716490
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-ethyl-2-methylidene-N-(piperidin-4-ylmethyl)butan-1-amine
SMILESC=C(CC)CN(CC)CC1CCNCC1
InChIInChI=1S/C13H26N2/c1-4-12(3)10-15(5-2)11-13-6-8-14-9-7-13/h13-14H,3-11H2,1-2H3
InChIKeyHUIXVIZUSJBGQT-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-methylidene-N-(piperidin-4-ylmethyl)butan-1-amine
CID 79717112
2-[ethyl(piperidin-4-ylmethyl)amino]acetamide
CID 79716882
1-[ethyl(piperidin-4-ylmethyl)amino]-2-methylpropan-2-ol
CID 79716731
2-[ethyl(piperidin-4-ylmethyl)amino]-N-propylacetamide
CID 79716409
5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol
CID 79716629
N-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine
CID 79715887
N-ethyl-2,2,2-trifluoro-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
CID 119930511
N-(cyclopropylmethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103070705
2-[2-[ethyl(piperidin-4-ylmethyl)amino]ethoxy]ethanol
CID 79717125
2-[ethyl(piperidin-4-ylmethyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 79717044
1-[ethyl(piperidin-4-ylmethyl)amino]-3-methoxypropan-2-ol
CID 79716413
N,N-diethyl-4-[ethyl(piperidin-4-ylmethyl)amino]butanamide
CID 79717040

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylidene-N-(piperidin-4-ylmethyl)butan-1-amine?
The IUPAC name of N-ethyl-2-methylidene-N-(piperidin-4-ylmethyl)butan-1-amine (CID 79716490) is N-ethyl-2-methylidene-N-(piperidin-4-ylmethyl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-methylidene-N-(piperidin-4-ylmethyl)butan-1-amine?
The canonical SMILES for N-ethyl-2-methylidene-N-(piperidin-4-ylmethyl)butan-1-amine is C=C(CC)CN(CC)CC1CCNCC1.
What is the InChIKey of N-ethyl-2-methylidene-N-(piperidin-4-ylmethyl)butan-1-amine?
The InChIKey is HUIXVIZUSJBGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-12(3)10-15(5-2)11-13-6-8-14-9-7-13/h13-14H,3-11H2,1-2H3.
What are the key properties of N-ethyl-2-methylidene-N-(piperidin-4-ylmethyl)butan-1-amine?
N-ethyl-2-methylidene-N-(piperidin-4-ylmethyl)butan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylidene-N-(piperidin-4-ylmethyl)butan-1-amine is sourced from PubChem (CID 79716490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).