4-(aminomethyl)-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine

C14H28N2O2 — CID 114466231

IUPAC4-(aminomethyl)-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
SMILESC=C(C)COCCNC1(CN)CCOC(C)(C)C1
InChIInChI=1S/C14H28N2O2/c1-12(2)9-17-8-6-16-14(11-15)5-7-18-13(3,4)10-14/h16H,1,5-11,15H2,2-4H3
InChIKeyHEMSRTRRJHPSMN-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.46
Rot. Bonds7

About 4-(aminomethyl)-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine

4-(aminomethyl)-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine (PubChem CID 114466231) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-(aminomethyl)-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
PubChem CID114466231
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-(aminomethyl)-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
SMILESC=C(C)COCCNC1(CN)CCOC(C)(C)C1
InChIInChI=1S/C14H28N2O2/c1-12(2)9-17-8-6-16-14(11-15)5-7-18-13(3,4)10-14/h16H,1,5-11,15H2,2-4H3
InChIKeyHEMSRTRRJHPSMN-UHFFFAOYSA-N
XLogP1.46
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-2-ethyl-N-(2-methoxyethyl)-2-methyloxan-4-amine
CID 64107440
4-(aminomethyl)-N-(2-methoxyethyl)-2,2-dimethyloxan-4-amine
CID 64107645
4-(aminomethyl)-N-(2-methoxypropyl)-2,2-dimethyloxan-4-amine
CID 102697128
4-methoxy-4-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 106675828
1-(aminomethyl)-3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 106872774
1-(aminomethyl)-2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 113887470
2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
CID 114465655
2-ethyl-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
CID 114465916
4-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-yloxan-4-amine
CID 114466160
4-(aminomethyl)-2,6-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
CID 114466181
4-(aminomethyl)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
CID 114466228
4-(aminomethyl)-2-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
CID 114466230

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine (CID 114466231) is 4-(aminomethyl)-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine is C=C(C)COCCNC1(CN)CCOC(C)(C)C1.
What is the InChIKey of 4-(aminomethyl)-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine?
The InChIKey is HEMSRTRRJHPSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(2)9-17-8-6-16-14(11-15)5-7-18-13(3,4)10-14/h16H,1,5-11,15H2,2-4H3.
What are the key properties of 4-(aminomethyl)-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine?
4-(aminomethyl)-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine has a molecular weight of 256.39 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine is sourced from PubChem (CID 114466231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).