1-(2,3-dihydro-1H-inden-5-yl)pent-4-en-1-amine

C14H19N — CID 104987476

IUPAC1-(2,3-dihydro-1H-inden-5-yl)pent-4-en-1-amine
SMILESC=CCCC(N)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H19N/c1-2-3-7-14(15)13-9-8-11-5-4-6-12(11)10-13/h2,8-10,14H,1,3-7,15H2
InChIKeyXRFYGPWQDGGZBB-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.14
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)pent-4-en-1-amine

1-(2,3-dihydro-1H-inden-5-yl)pent-4-en-1-amine (PubChem CID 104987476) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)pent-4-en-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)pent-4-en-1-amine
PubChem CID104987476
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)pent-4-en-1-amine
SMILESC=CCCC(N)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H19N/c1-2-3-7-14(15)13-9-8-11-5-4-6-12(11)10-13/h2,8-10,14H,1,3-7,15H2
InChIKeyXRFYGPWQDGGZBB-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 116932733
(1S)-1-(9H-fluoren-2-yl)pent-4-en-1-amine;hydrochloride
CID 171233295
1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 43198216
4-amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
CID 116861384
1-(1,3-dihydro-2-benzofuran-5-yl)oct-7-en-1-amine
CID 107011642
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135
(1R)-1-(3,4-dibromophenyl)pent-4-en-1-amine;hydrochloride
CID 171215459
1-(2,3-dihydro-1H-inden-5-yl)but-3-enylhydrazine
CID 105289620
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pent-4-en-1-amine
CID 104987233
(1S)-1-(1H-indol-6-yl)pent-4-en-1-amine
CID 171225195
(5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid
CID 28931166
4-[(1S)-1-aminopent-4-enyl]phenol
CID 171217735

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)pent-4-en-1-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)pent-4-en-1-amine (CID 104987476) is 1-(2,3-dihydro-1H-inden-5-yl)pent-4-en-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)pent-4-en-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)pent-4-en-1-amine is C=CCCC(N)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)pent-4-en-1-amine?
The InChIKey is XRFYGPWQDGGZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-2-3-7-14(15)13-9-8-11-5-4-6-12(11)10-13/h2,8-10,14H,1,3-7,15H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)pent-4-en-1-amine?
1-(2,3-dihydro-1H-inden-5-yl)pent-4-en-1-amine has a molecular weight of 201.31 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)pent-4-en-1-amine is sourced from PubChem (CID 104987476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).