N-[(4-ethylpiperidin-2-yl)methyl]-2-methylpropan-1-amine

C12H26N2 — CID 114430810

IUPACN-[(4-ethylpiperidin-2-yl)methyl]-2-methylpropan-1-amine
SMILESCCC1CCNC(CNCC(C)C)C1
InChIInChI=1S/C12H26N2/c1-4-11-5-6-14-12(7-11)9-13-8-10(2)3/h10-14H,4-9H2,1-3H3
InChIKeyDHVQKMKQKHNVJJ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.01
Rot. Bonds5

About N-[(4-ethylpiperidin-2-yl)methyl]-2-methylpropan-1-amine

N-[(4-ethylpiperidin-2-yl)methyl]-2-methylpropan-1-amine (PubChem CID 114430810) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-[(4-ethylpiperidin-2-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylpiperidin-2-yl)methyl]-2-methylpropan-1-amine
PubChem CID114430810
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-[(4-ethylpiperidin-2-yl)methyl]-2-methylpropan-1-amine
SMILESCCC1CCNC(CNCC(C)C)C1
InChIInChI=1S/C12H26N2/c1-4-11-5-6-14-12(7-11)9-13-8-10(2)3/h10-14H,4-9H2,1-3H3
InChIKeyDHVQKMKQKHNVJJ-UHFFFAOYSA-N
XLogP2.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethyl-2-methylpiperidine
CID 7727
4-Propylpiperidine
CID 31169
Methyl(2-(4-methylpiperidin-1-yl)ethyl)amine
CID 43199381
2,3-Dimethylpiperidine
CID 95359
2-(3,5-Dimethylpiperidin-1-yl)ethan-1-amine
CID 6484177
3-(Propan-2-yl)piperidine
CID 541786
2,4,6-Trimethylpiperidine
CID 89562
N-(cyclohexylmethyl)-1-ethylpiperidin-4-amine
CID 2846481
1-(4-Methyl-cyclohexyl)-piperazinehydrochloride
CID 16188159
2,4-Dimethylpiperidine
CID 95423
3-Propylpiperidine
CID 114550
6-Methyl-6,9-diazaspiro[4.5]decane
CID 28901865

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylpiperidin-2-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(4-ethylpiperidin-2-yl)methyl]-2-methylpropan-1-amine (CID 114430810) is N-[(4-ethylpiperidin-2-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(4-ethylpiperidin-2-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(4-ethylpiperidin-2-yl)methyl]-2-methylpropan-1-amine is CCC1CCNC(CNCC(C)C)C1.
What is the InChIKey of N-[(4-ethylpiperidin-2-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is DHVQKMKQKHNVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-11-5-6-14-12(7-11)9-13-8-10(2)3/h10-14H,4-9H2,1-3H3.
What are the key properties of N-[(4-ethylpiperidin-2-yl)methyl]-2-methylpropan-1-amine?
N-[(4-ethylpiperidin-2-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylpiperidin-2-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114430810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).