N-hex-1-yn-3-yl-2,3-dihydro-1H-inden-2-amine

C15H19N — CID 106227277

IUPACN-hex-1-yn-3-yl-2,3-dihydro-1H-inden-2-amine
SMILESC#CC(CCC)NC1Cc2ccccc2C1
InChIInChI=1S/C15H19N/c1-3-7-14(4-2)16-15-10-12-8-5-6-9-13(12)11-15/h2,5-6,8-9,14-16H,3,7,10-11H2,1H3
InChIKeyXJDHOGUQAUCOMB-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.55
Rot. Bonds4

About N-hex-1-yn-3-yl-2,3-dihydro-1H-inden-2-amine

N-hex-1-yn-3-yl-2,3-dihydro-1H-inden-2-amine (PubChem CID 106227277) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is N-hex-1-yn-3-yl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-hex-1-yn-3-yl-2,3-dihydro-1H-inden-2-amine
PubChem CID106227277
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC NameN-hex-1-yn-3-yl-2,3-dihydro-1H-inden-2-amine
SMILESC#CC(CCC)NC1Cc2ccccc2C1
InChIInChI=1S/C15H19N/c1-3-7-14(4-2)16-15-10-12-8-5-6-9-13(12)11-15/h2,5-6,8-9,14-16H,3,7,10-11H2,1H3
InChIKeyXJDHOGUQAUCOMB-UHFFFAOYSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.55
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

N-heptan-4-yl-2,3-dihydro-1H-inden-2-amine
CID 104694875
6-bromo-N-hex-1-yn-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 106226118
N-hex-1-yn-3-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106226695
N-[(2R)-butan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 93092975
3-(3-chlorophenyl)-N-hex-1-yn-3-ylcyclobutan-1-amine
CID 106226917
N-hex-1-yn-3-yl-2-phenylcyclohexan-1-amine
CID 106227111
N-hex-1-yn-3-yl-3-propan-2-ylcyclohexan-1-amine
CID 106227218
4-(hex-1-yn-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 106226748
N-hex-1-yn-3-yl-1-methylpyrrolidin-3-amine
CID 106225749
N-[cyclopropyl(phenyl)methyl]hex-1-yn-3-amine
CID 114160919
N-hex-1-yn-3-yl-5-methylthiolan-3-amine
CID 106225796
N-hex-1-yn-3-yl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 106227284

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-yl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-hex-1-yn-3-yl-2,3-dihydro-1H-inden-2-amine (CID 106227277) is N-hex-1-yn-3-yl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-hex-1-yn-3-yl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-hex-1-yn-3-yl-2,3-dihydro-1H-inden-2-amine is C#CC(CCC)NC1Cc2ccccc2C1.
What is the InChIKey of N-hex-1-yn-3-yl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is XJDHOGUQAUCOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-3-7-14(4-2)16-15-10-12-8-5-6-9-13(12)11-15/h2,5-6,8-9,14-16H,3,7,10-11H2,1H3.
What are the key properties of N-hex-1-yn-3-yl-2,3-dihydro-1H-inden-2-amine?
N-hex-1-yn-3-yl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 213.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-yl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 106227277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).