N-[4-(aminomethyl)-2-ethyloxan-4-yl]piperidin-1-amine

C13H27N3O — CID 83012158

IUPACN-[4-(aminomethyl)-2-ethyloxan-4-yl]piperidin-1-amine
SMILESCCC1CC(CN)(NN2CCCCC2)CCO1
InChIInChI=1S/C13H27N3O/c1-2-12-10-13(11-14,6-9-17-12)15-16-7-4-3-5-8-16/h12,15H,2-11,14H2,1H3
InChIKeyRQKUAMSOEZFDOE-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.26
Rot. Bonds4

About N-[4-(aminomethyl)-2-ethyloxan-4-yl]piperidin-1-amine

N-[4-(aminomethyl)-2-ethyloxan-4-yl]piperidin-1-amine (PubChem CID 83012158) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-ethyloxan-4-yl]piperidin-1-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-ethyloxan-4-yl]piperidin-1-amine
PubChem CID83012158
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-[4-(aminomethyl)-2-ethyloxan-4-yl]piperidin-1-amine
SMILESCCC1CC(CN)(NN2CCCCC2)CCO1
InChIInChI=1S/C13H27N3O/c1-2-12-10-13(11-14,6-9-17-12)15-16-7-4-3-5-8-16/h12,15H,2-11,14H2,1H3
InChIKeyRQKUAMSOEZFDOE-UHFFFAOYSA-N
XLogP1.26
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)-2-propyloxan-4-yl]piperidin-1-amine
CID 83010684
4-(aminomethyl)-2-ethyl-N-(2-methylprop-2-enyl)oxan-4-amine
CID 114616093
N-[4-(aminomethyl)-2-ethyl-2-methyloxan-4-yl]piperidin-1-amine
CID 83010918
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]piperidin-1-amine
CID 83011314
N-[1-(aminomethyl)-3-ethylcyclopentyl]morpholin-4-amine
CID 83013895
4-(aminomethyl)-2-ethyl-N-(4-methylphenyl)oxan-4-amine
CID 65379219
4-(aminomethyl)-N-benzyl-2-ethyloxan-4-amine
CID 65384007
4-(aminomethyl)-N-(4-bromophenyl)-2-ethyloxan-4-amine
CID 65385977
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-ethyloxan-4-amine
CID 107573083
N-[3-(aminomethyl)-5-methylthiolan-3-yl]piperidin-1-amine
CID 83010917
N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]piperidin-1-amine
CID 83011025
2-[2-ethyl-4-(ethylamino)oxan-4-yl]acetamide
CID 65234241

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-ethyloxan-4-yl]piperidin-1-amine?
The IUPAC name of N-[4-(aminomethyl)-2-ethyloxan-4-yl]piperidin-1-amine (CID 83012158) is N-[4-(aminomethyl)-2-ethyloxan-4-yl]piperidin-1-amine.
What is the SMILES notation for N-[4-(aminomethyl)-2-ethyloxan-4-yl]piperidin-1-amine?
The canonical SMILES for N-[4-(aminomethyl)-2-ethyloxan-4-yl]piperidin-1-amine is CCC1CC(CN)(NN2CCCCC2)CCO1.
What is the InChIKey of N-[4-(aminomethyl)-2-ethyloxan-4-yl]piperidin-1-amine?
The InChIKey is RQKUAMSOEZFDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-2-12-10-13(11-14,6-9-17-12)15-16-7-4-3-5-8-16/h12,15H,2-11,14H2,1H3.
What are the key properties of N-[4-(aminomethyl)-2-ethyloxan-4-yl]piperidin-1-amine?
N-[4-(aminomethyl)-2-ethyloxan-4-yl]piperidin-1-amine has a molecular weight of 241.38 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-ethyloxan-4-yl]piperidin-1-amine is sourced from PubChem (CID 83012158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).