1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-propylbut-3-yn-1-amine

C18H23N — CID 114977863

IUPAC1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-propylbut-3-yn-1-amine
SMILESC#CCC(NCCC)C1C2CCc3ccccc3C21
InChIInChI=1S/C18H23N/c1-3-7-16(19-12-4-2)18-15-11-10-13-8-5-6-9-14(13)17(15)18/h1,5-6,8-9,15-19H,4,7,10-12H2,2H3
InChIKeyNPRFFMSEAJUBDG-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.35
Rot. Bonds5

About 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-propylbut-3-yn-1-amine

1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-propylbut-3-yn-1-amine (PubChem CID 114977863) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-propylbut-3-yn-1-amine.

Molecular Properties

Compound Name1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-propylbut-3-yn-1-amine
PubChem CID114977863
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-propylbut-3-yn-1-amine
SMILESC#CCC(NCCC)C1C2CCc3ccccc3C21
InChIInChI=1S/C18H23N/c1-3-7-16(19-12-4-2)18-15-11-10-13-8-5-6-9-14(13)17(15)18/h1,5-6,8-9,15-19H,4,7,10-12H2,2H3
InChIKeyNPRFFMSEAJUBDG-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethylbut-3-yn-1-amine
CID 114978077
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethylbutan-1-amine
CID 115778284
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-ethoxy-N-ethylethanamine
CID 105008227
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-cyclopropyl-N-methylethanamine
CID 104986364
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-ethyl-N-methylpentan-1-amine
CID 105028073
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethyl-5-methylhexan-1-amine
CID 105029069
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 104992964
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-ethoxy-N-methylethanamine
CID 105007913
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 105005648
[1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-propoxyethyl]hydrazine
CID 105321431
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 115854478
1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-N-propylbutan-1-amine
CID 65403398

Frequently Asked Questions

What is the IUPAC name of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-propylbut-3-yn-1-amine?
The IUPAC name of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-propylbut-3-yn-1-amine (CID 114977863) is 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-propylbut-3-yn-1-amine.
What is the SMILES notation for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-propylbut-3-yn-1-amine?
The canonical SMILES for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-propylbut-3-yn-1-amine is C#CCC(NCCC)C1C2CCc3ccccc3C21.
What is the InChIKey of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-propylbut-3-yn-1-amine?
The InChIKey is NPRFFMSEAJUBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-3-7-16(19-12-4-2)18-15-11-10-13-8-5-6-9-14(13)17(15)18/h1,5-6,8-9,15-19H,4,7,10-12H2,2H3.
What are the key properties of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-propylbut-3-yn-1-amine?
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-propylbut-3-yn-1-amine has a molecular weight of 253.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-propylbut-3-yn-1-amine is sourced from PubChem (CID 114977863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).