N-ethyl-1-methoxy-4-methylidenehexan-2-amine

C10H21NO — CID 66039702

IUPACN-ethyl-1-methoxy-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(COC)NCC
InChIInChI=1S/C10H21NO/c1-5-9(3)7-10(8-12-4)11-6-2/h10-11H,3,5-8H2,1-2,4H3
InChIKeyWXHBSOHHLRNUDQ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds7

About N-ethyl-1-methoxy-4-methylidenehexan-2-amine

N-ethyl-1-methoxy-4-methylidenehexan-2-amine (PubChem CID 66039702) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-ethyl-1-methoxy-4-methylidenehexan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-4-methylidenehexan-2-amine
PubChem CID66039702
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-ethyl-1-methoxy-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(COC)NCC
InChIInChI=1S/C10H21NO/c1-5-9(3)7-10(8-12-4)11-6-2/h10-11H,3,5-8H2,1-2,4H3
InChIKeyWXHBSOHHLRNUDQ-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-4-methylidenehexan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-4-methylidenehexan-2-amine (CID 66039702) is N-ethyl-1-methoxy-4-methylidenehexan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-4-methylidenehexan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-4-methylidenehexan-2-amine is C=C(CC)CC(COC)NCC.
What is the InChIKey of N-ethyl-1-methoxy-4-methylidenehexan-2-amine?
The InChIKey is WXHBSOHHLRNUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-9(3)7-10(8-12-4)11-6-2/h10-11H,3,5-8H2,1-2,4H3.
What are the key properties of N-ethyl-1-methoxy-4-methylidenehexan-2-amine?
N-ethyl-1-methoxy-4-methylidenehexan-2-amine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-4-methylidenehexan-2-amine is sourced from PubChem (CID 66039702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).