1-(3-ethoxycyclobutyl)-4-methylidene-N-propylhexan-2-amine

C16H31NO — CID 103169052

IUPAC1-(3-ethoxycyclobutyl)-4-methylidene-N-propylhexan-2-amine
SMILESC=C(CC)CC(CC1CC(OCC)C1)NCCC
InChIInChI=1S/C16H31NO/c1-5-8-17-15(9-13(4)6-2)10-14-11-16(12-14)18-7-3/h14-17H,4-12H2,1-3H3
InChIKeyKBIWNDJDNOAKFR-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.92
Rot. Bonds10

About 1-(3-ethoxycyclobutyl)-4-methylidene-N-propylhexan-2-amine

1-(3-ethoxycyclobutyl)-4-methylidene-N-propylhexan-2-amine (PubChem CID 103169052) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-4-methylidene-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-4-methylidene-N-propylhexan-2-amine
PubChem CID103169052
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-(3-ethoxycyclobutyl)-4-methylidene-N-propylhexan-2-amine
SMILESC=C(CC)CC(CC1CC(OCC)C1)NCCC
InChIInChI=1S/C16H31NO/c1-5-8-17-15(9-13(4)6-2)10-14-11-16(12-14)18-7-3/h14-17H,4-12H2,1-3H3
InChIKeyKBIWNDJDNOAKFR-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethyl-2-propan-2-yl-3,4-dihydro-2H-pyran-5-yl)-N-propan-2-ylcyclopropan-1-amine
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2-(4-Dec-9-en-5-yloxypentyl)-4-ethylpyrrolidine
CID 155301829
N-(8-decan-2-yloxynon-8-enyl)-8-methylidene-10-octyloctadecan-1-amine
CID 156315785
N-butyl-22-hexyl-20-methylidene-2-tridecan-7-yloxyoctacos-1-en-11-amine
CID 174290705
N-methyl-3-methylidene-1-(oxan-3-yl)pentan-1-amine
CID 66038290
N-ethyl-3-methylidene-1-(oxan-3-yl)pentan-1-amine
CID 66038291
3-methylidene-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 66038529
N,3-dimethyl-1-(oxan-3-yl)but-3-en-1-amine
CID 79184857
N-ethyl-3-methyl-1-(oxan-3-yl)but-3-en-1-amine
CID 79184966
3-methyl-1-(oxan-3-yl)-N-propylbut-3-en-1-amine
CID 79184967
1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103163057

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-4-methylidene-N-propylhexan-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-4-methylidene-N-propylhexan-2-amine (CID 103169052) is 1-(3-ethoxycyclobutyl)-4-methylidene-N-propylhexan-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-4-methylidene-N-propylhexan-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-4-methylidene-N-propylhexan-2-amine is C=C(CC)CC(CC1CC(OCC)C1)NCCC.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-4-methylidene-N-propylhexan-2-amine?
The InChIKey is KBIWNDJDNOAKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-5-8-17-15(9-13(4)6-2)10-14-11-16(12-14)18-7-3/h14-17H,4-12H2,1-3H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-4-methylidene-N-propylhexan-2-amine?
1-(3-ethoxycyclobutyl)-4-methylidene-N-propylhexan-2-amine has a molecular weight of 253.43 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-4-methylidene-N-propylhexan-2-amine is sourced from PubChem (CID 103169052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).