N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine

C13H15N — CID 63656053

IUPACN-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
SMILESC#CCCNC1CCc2ccccc21
InChIInChI=1S/C13H15N/c1-2-3-10-14-13-9-8-11-6-4-5-7-12(11)13/h1,4-7,13-14H,3,8-10H2
InChIKeyQEIXBVKOMXFELC-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.29
Rot. Bonds3

About N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine

N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 63656053) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
PubChem CID63656053
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC NameN-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
SMILESC#CCCNC1CCc2ccccc21
InChIInChI=1S/C13H15N/c1-2-3-10-14-13-9-8-11-6-4-5-7-12(11)13/h1,4-7,13-14H,3,8-10H2
InChIKeyQEIXBVKOMXFELC-UHFFFAOYSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N-pent-4-ynyl-2,3-dihydro-1H-inden-1-amine
CID 115724846
N-but-3-ynyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982195
N-but-3-ynyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773823
formic acid;(1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 53378998
4-bromo-N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 103846474
methanesulfonic acid;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine;hydrate
CID 140668931
butanedioic acid;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 44611628
3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid
CID 43088449
(Z)-but-2-enedioic acid;N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 10266058
benzoic acid;(1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 53379225
N-(2-phenoxyethyl)-2,3-dihydro-1H-inden-1-amine
CID 55024692
2,3-dihydroxybutanedioic acid;(1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 53378885

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine (CID 63656053) is N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine is C#CCCNC1CCc2ccccc21.
What is the InChIKey of N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is QEIXBVKOMXFELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-2-3-10-14-13-9-8-11-6-4-5-7-12(11)13/h1,4-7,13-14H,3,8-10H2.
What are the key properties of N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine?
N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 185.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 63656053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).