4-(aminomethyl)-2-ethyl-2-methyl-N-prop-2-ynyloxan-4-amine

C12H22N2O — CID 65381384

IUPAC4-(aminomethyl)-2-ethyl-2-methyl-N-prop-2-ynyloxan-4-amine
SMILESC#CCNC1(CN)CCOC(C)(CC)C1
InChIInChI=1S/C12H22N2O/c1-4-7-14-12(10-13)6-8-15-11(3,5-2)9-12/h1,14H,5-10,13H2,2-3H3
InChIKeyLRDNMCCQQFBTHW-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.89
Rot. Bonds4

About 4-(aminomethyl)-2-ethyl-2-methyl-N-prop-2-ynyloxan-4-amine

4-(aminomethyl)-2-ethyl-2-methyl-N-prop-2-ynyloxan-4-amine (PubChem CID 65381384) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-(aminomethyl)-2-ethyl-2-methyl-N-prop-2-ynyloxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-2-ethyl-2-methyl-N-prop-2-ynyloxan-4-amine
PubChem CID65381384
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-(aminomethyl)-2-ethyl-2-methyl-N-prop-2-ynyloxan-4-amine
SMILESC#CCNC1(CN)CCOC(C)(CC)C1
InChIInChI=1S/C12H22N2O/c1-4-7-14-12(10-13)6-8-15-11(3,5-2)9-12/h1,14H,5-10,13H2,2-3H3
InChIKeyLRDNMCCQQFBTHW-UHFFFAOYSA-N
XLogP0.89
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-ethyl-2-methyl-N-prop-2-ynyloxan-4-amine?
The IUPAC name of 4-(aminomethyl)-2-ethyl-2-methyl-N-prop-2-ynyloxan-4-amine (CID 65381384) is 4-(aminomethyl)-2-ethyl-2-methyl-N-prop-2-ynyloxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-2-ethyl-2-methyl-N-prop-2-ynyloxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-2-ethyl-2-methyl-N-prop-2-ynyloxan-4-amine is C#CCNC1(CN)CCOC(C)(CC)C1.
What is the InChIKey of 4-(aminomethyl)-2-ethyl-2-methyl-N-prop-2-ynyloxan-4-amine?
The InChIKey is LRDNMCCQQFBTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-7-14-12(10-13)6-8-15-11(3,5-2)9-12/h1,14H,5-10,13H2,2-3H3.
What are the key properties of 4-(aminomethyl)-2-ethyl-2-methyl-N-prop-2-ynyloxan-4-amine?
4-(aminomethyl)-2-ethyl-2-methyl-N-prop-2-ynyloxan-4-amine has a molecular weight of 210.32 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-ethyl-2-methyl-N-prop-2-ynyloxan-4-amine is sourced from PubChem (CID 65381384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).