N-pent-4-ynyl-2,3-dihydro-1H-inden-1-amine

C14H17N — CID 115724846

IUPACN-pent-4-ynyl-2,3-dihydro-1H-inden-1-amine
SMILESC#CCCCNC1CCc2ccccc21
InChIInChI=1S/C14H17N/c1-2-3-6-11-15-14-10-9-12-7-4-5-8-13(12)14/h1,4-5,7-8,14-15H,3,6,9-11H2
InChIKeyUAXPWJAFCUPUQJ-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.68
Rot. Bonds4

About N-pent-4-ynyl-2,3-dihydro-1H-inden-1-amine

N-pent-4-ynyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 115724846) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is N-pent-4-ynyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-pent-4-ynyl-2,3-dihydro-1H-inden-1-amine
PubChem CID115724846
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC NameN-pent-4-ynyl-2,3-dihydro-1H-inden-1-amine
SMILESC#CCCCNC1CCc2ccccc21
InChIInChI=1S/C14H17N/c1-2-3-6-11-15-14-10-9-12-7-4-5-8-13(12)14/h1,4-5,7-8,14-15H,3,6,9-11H2
InChIKeyUAXPWJAFCUPUQJ-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.68
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-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 63656053
N-hex-5-ynyl-3,4-dihydro-2H-thiochromen-4-amine
CID 103903582
N-(3-butoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 115704394
formic acid;(1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 53378998
3-(hex-5-ynylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 106211618
3-N-pent-4-ynyl-2,3-dihydro-1H-indene-1,3-diamine
CID 106220652
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
N-but-3-ynyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982195
3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid
CID 43088449
N-but-3-ynyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773823
(Z)-but-2-enedioic acid;N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 10266058

Frequently Asked Questions

What is the IUPAC name of N-pent-4-ynyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-pent-4-ynyl-2,3-dihydro-1H-inden-1-amine (CID 115724846) is N-pent-4-ynyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-pent-4-ynyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-pent-4-ynyl-2,3-dihydro-1H-inden-1-amine is C#CCCCNC1CCc2ccccc21.
What is the InChIKey of N-pent-4-ynyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is UAXPWJAFCUPUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-2-3-6-11-15-14-10-9-12-7-4-5-8-13(12)14/h1,4-5,7-8,14-15H,3,6,9-11H2.
What are the key properties of N-pent-4-ynyl-2,3-dihydro-1H-inden-1-amine?
N-pent-4-ynyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 199.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-ynyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115724846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).