N-(2-ethoxyethyl)-5-methyl-3-methylidenehexan-1-amine

C12H25NO — CID 167060060

IUPACN-(2-ethoxyethyl)-5-methyl-3-methylidenehexan-1-amine
SMILESC=C(CCNCCOCC)CC(C)C
InChIInChI=1S/C12H25NO/c1-5-14-9-8-13-7-6-12(4)10-11(2)3/h11,13H,4-10H2,1-3H3
InChIKeyVXJFTHDHHURACP-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.60
Rot. Bonds9

About N-(2-ethoxyethyl)-5-methyl-3-methylidenehexan-1-amine

N-(2-ethoxyethyl)-5-methyl-3-methylidenehexan-1-amine (PubChem CID 167060060) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-5-methyl-3-methylidenehexan-1-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-5-methyl-3-methylidenehexan-1-amine
PubChem CID167060060
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(2-ethoxyethyl)-5-methyl-3-methylidenehexan-1-amine
SMILESC=C(CCNCCOCC)CC(C)C
InChIInChI=1S/C12H25NO/c1-5-14-9-8-13-7-6-12(4)10-11(2)3/h11,13H,4-10H2,1-3H3
InChIKeyVXJFTHDHHURACP-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-5-methyl-3-methylidenehexan-1-amine?
The IUPAC name of N-(2-ethoxyethyl)-5-methyl-3-methylidenehexan-1-amine (CID 167060060) is N-(2-ethoxyethyl)-5-methyl-3-methylidenehexan-1-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-5-methyl-3-methylidenehexan-1-amine?
The canonical SMILES for N-(2-ethoxyethyl)-5-methyl-3-methylidenehexan-1-amine is C=C(CCNCCOCC)CC(C)C.
What is the InChIKey of N-(2-ethoxyethyl)-5-methyl-3-methylidenehexan-1-amine?
The InChIKey is VXJFTHDHHURACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-14-9-8-13-7-6-12(4)10-11(2)3/h11,13H,4-10H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-5-methyl-3-methylidenehexan-1-amine?
N-(2-ethoxyethyl)-5-methyl-3-methylidenehexan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-5-methyl-3-methylidenehexan-1-amine is sourced from PubChem (CID 167060060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).