N-[(4-ethylpiperidin-2-yl)methyl]-1-(oxolan-3-yl)methanamine

C13H26N2O — CID 114431077

IUPACN-[(4-ethylpiperidin-2-yl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCCC1CCNC(CNCC2CCOC2)C1
InChIInChI=1S/C13H26N2O/c1-2-11-3-5-15-13(7-11)9-14-8-12-4-6-16-10-12/h11-15H,2-10H2,1H3
InChIKeyRYUXRBTWLVRVPK-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.39
Rot. Bonds5

About N-[(4-ethylpiperidin-2-yl)methyl]-1-(oxolan-3-yl)methanamine

N-[(4-ethylpiperidin-2-yl)methyl]-1-(oxolan-3-yl)methanamine (PubChem CID 114431077) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[(4-ethylpiperidin-2-yl)methyl]-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(4-ethylpiperidin-2-yl)methyl]-1-(oxolan-3-yl)methanamine
PubChem CID114431077
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[(4-ethylpiperidin-2-yl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCCC1CCNC(CNCC2CCOC2)C1
InChIInChI=1S/C13H26N2O/c1-2-11-3-5-15-13(7-11)9-14-8-12-4-6-16-10-12/h11-15H,2-10H2,1H3
InChIKeyRYUXRBTWLVRVPK-UHFFFAOYSA-N
XLogP1.39
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)methanamine
CID 106741043
N-[(4-ethylpiperidin-2-yl)methyl]-2-methylpropan-1-amine
CID 114430810
N-(oxolan-3-ylmethyl)-1-piperidin-4-ylmethanamine
CID 62825418
N-[(4-ethylpiperidin-2-yl)methyl]cyclopropanamine
CID 114430809
N-[(4-ethylpiperidin-2-yl)methyl]-4-methyloxan-4-amine
CID 114431402
N-(oxolan-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 63006355
3-ethyloxolane
CID 10996972
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
1-(4-ethylpiperidin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 114431418
N,4-diethyl-N-(oxolan-3-ylmethyl)piperidine-2-carboxamide
CID 114428566
N-cyclopropyl-4-ethyl-N-(oxolan-3-ylmethyl)piperidine-2-carboxamide
CID 114428560
1-cyclopentyl-N-(morpholin-3-ylmethyl)methanamine
CID 115238062

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylpiperidin-2-yl)methyl]-1-(oxolan-3-yl)methanamine?
The IUPAC name of N-[(4-ethylpiperidin-2-yl)methyl]-1-(oxolan-3-yl)methanamine (CID 114431077) is N-[(4-ethylpiperidin-2-yl)methyl]-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for N-[(4-ethylpiperidin-2-yl)methyl]-1-(oxolan-3-yl)methanamine?
The canonical SMILES for N-[(4-ethylpiperidin-2-yl)methyl]-1-(oxolan-3-yl)methanamine is CCC1CCNC(CNCC2CCOC2)C1.
What is the InChIKey of N-[(4-ethylpiperidin-2-yl)methyl]-1-(oxolan-3-yl)methanamine?
The InChIKey is RYUXRBTWLVRVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-11-3-5-15-13(7-11)9-14-8-12-4-6-16-10-12/h11-15H,2-10H2,1H3.
What are the key properties of N-[(4-ethylpiperidin-2-yl)methyl]-1-(oxolan-3-yl)methanamine?
N-[(4-ethylpiperidin-2-yl)methyl]-1-(oxolan-3-yl)methanamine has a molecular weight of 226.36 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylpiperidin-2-yl)methyl]-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 114431077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).