1-(3-ethoxycyclobutyl)-N-propylhept-6-yn-2-amine

C16H29NO — CID 103169441

IUPAC1-(3-ethoxycyclobutyl)-N-propylhept-6-yn-2-amine
SMILESC#CCCCC(CC1CC(OCC)C1)NCCC
InChIInChI=1S/C16H29NO/c1-4-7-8-9-15(17-10-5-2)11-14-12-16(13-14)18-6-3/h1,14-17H,5-13H2,2-3H3
InChIKeyKEBPJEUVRCGYCM-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.36
Rot. Bonds10

About 1-(3-ethoxycyclobutyl)-N-propylhept-6-yn-2-amine

1-(3-ethoxycyclobutyl)-N-propylhept-6-yn-2-amine (PubChem CID 103169441) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-N-propylhept-6-yn-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-N-propylhept-6-yn-2-amine
PubChem CID103169441
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-(3-ethoxycyclobutyl)-N-propylhept-6-yn-2-amine
SMILESC#CCCCC(CC1CC(OCC)C1)NCCC
InChIInChI=1S/C16H29NO/c1-4-7-8-9-15(17-10-5-2)11-14-12-16(13-14)18-6-3/h1,14-17H,5-13H2,2-3H3
InChIKeyKEBPJEUVRCGYCM-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxycyclobutyl)-N-ethylheptan-2-amine
CID 103168427
1-(3-ethoxycyclobutyl)-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 103169839
N-[1-cyclopropyl-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103168873
1-cyclopentyl-5-ethoxy-N-propylpentan-2-amine
CID 105139073
2-(3-ethoxycyclobutyl)-N-pent-4-ynylacetamide
CID 103270054
N-propylhexadec-1-yn-5-amine
CID 115859157
N-propylundec-1-yn-5-amine
CID 115859385
N-propyldodec-1-yn-5-amine
CID 115859300
1-(3-ethoxycyclobutyl)-N-ethyl-3-methylhexan-2-amine
CID 114013601
1-methoxy-2-methyl-N-propylnon-8-yn-4-amine
CID 105179592
N-propyldodec-1-yn-4-amine
CID 114977040
N-ethylheptadec-1-yn-6-amine
CID 105034079

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-N-propylhept-6-yn-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-N-propylhept-6-yn-2-amine (CID 103169441) is 1-(3-ethoxycyclobutyl)-N-propylhept-6-yn-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-N-propylhept-6-yn-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-N-propylhept-6-yn-2-amine is C#CCCCC(CC1CC(OCC)C1)NCCC.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-N-propylhept-6-yn-2-amine?
The InChIKey is KEBPJEUVRCGYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-4-7-8-9-15(17-10-5-2)11-14-12-16(13-14)18-6-3/h1,14-17H,5-13H2,2-3H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-N-propylhept-6-yn-2-amine?
1-(3-ethoxycyclobutyl)-N-propylhept-6-yn-2-amine has a molecular weight of 251.41 g/mol, XLogP of 3.36, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-N-propylhept-6-yn-2-amine is sourced from PubChem (CID 103169441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).