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

C14H29N3O — CID 83010918

IUPACN-[4-(aminomethyl)-2-ethyl-2-methyloxan-4-yl]piperidin-1-amine
SMILESCCC1(C)CC(CN)(NN2CCCCC2)CCO1
InChIInChI=1S/C14H29N3O/c1-3-13(2)11-14(12-15,7-10-18-13)16-17-8-5-4-6-9-17/h16H,3-12,15H2,1-2H3
InChIKeyQKKPNYJGHGYOCA-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.65
Rot. Bonds4

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

N-[4-(aminomethyl)-2-ethyl-2-methyloxan-4-yl]piperidin-1-amine (PubChem CID 83010918) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-ethyl-2-methyloxan-4-yl]piperidin-1-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-ethyl-2-methyloxan-4-yl]piperidin-1-amine
PubChem CID83010918
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-[4-(aminomethyl)-2-ethyl-2-methyloxan-4-yl]piperidin-1-amine
SMILESCCC1(C)CC(CN)(NN2CCCCC2)CCO1
InChIInChI=1S/C14H29N3O/c1-3-13(2)11-14(12-15,7-10-18-13)16-17-8-5-4-6-9-17/h16H,3-12,15H2,1-2H3
InChIKeyQKKPNYJGHGYOCA-UHFFFAOYSA-N
XLogP1.65
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-2-ethyl-2-methyl-N-prop-2-ynyloxan-4-amine
CID 65381384
N-[4-(aminomethyl)-2-ethyloxan-4-yl]piperidin-1-amine
CID 83012158
N-[4-(aminomethyl)-2-propyloxan-4-yl]piperidin-1-amine
CID 83010684
4-(aminomethyl)-2-ethyl-N-(4-fluorophenyl)-2-methyloxan-4-amine
CID 65377702
4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-ethyl-2-methyloxan-4-amine
CID 104721832
[4-(4,4-dimethylazepan-1-yl)-2-ethyl-2-methyloxan-4-yl]methanamine
CID 65283239
4-(aminomethyl)-2-ethyl-N-(3-fluorophenyl)-2-methyloxan-4-amine
CID 65385727
4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyl-2-methyloxan-4-amine
CID 107619534
N-[1-(aminomethyl)cycloheptyl]-4-methylpiperazin-1-amine
CID 83010725
N-[4-(aminomethyl)oxepan-4-yl]-4-methylpiperazin-1-amine
CID 83011562
N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]piperidin-1-amine
CID 83011025
N-[3-(aminomethyl)-5-methylthiolan-3-yl]piperidin-1-amine
CID 83010917

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-ethyl-2-methyloxan-4-yl]piperidin-1-amine?
The IUPAC name of N-[4-(aminomethyl)-2-ethyl-2-methyloxan-4-yl]piperidin-1-amine (CID 83010918) is N-[4-(aminomethyl)-2-ethyl-2-methyloxan-4-yl]piperidin-1-amine.
What is the SMILES notation for N-[4-(aminomethyl)-2-ethyl-2-methyloxan-4-yl]piperidin-1-amine?
The canonical SMILES for N-[4-(aminomethyl)-2-ethyl-2-methyloxan-4-yl]piperidin-1-amine is CCC1(C)CC(CN)(NN2CCCCC2)CCO1.
What is the InChIKey of N-[4-(aminomethyl)-2-ethyl-2-methyloxan-4-yl]piperidin-1-amine?
The InChIKey is QKKPNYJGHGYOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-13(2)11-14(12-15,7-10-18-13)16-17-8-5-4-6-9-17/h16H,3-12,15H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)-2-ethyl-2-methyloxan-4-yl]piperidin-1-amine?
N-[4-(aminomethyl)-2-ethyl-2-methyloxan-4-yl]piperidin-1-amine has a molecular weight of 255.41 g/mol, XLogP of 1.65, 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-ethyl-2-methyloxan-4-yl]piperidin-1-amine is sourced from PubChem (CID 83010918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).