3-N-pent-4-ynyl-2,3-dihydro-1H-indene-1,3-diamine

C14H18N2 — CID 106220652

IUPAC3-N-pent-4-ynyl-2,3-dihydro-1H-indene-1,3-diamine
SMILESC#CCCCNC1CC(N)c2ccccc21
InChIInChI=1S/C14H18N2/c1-2-3-6-9-16-14-10-13(15)11-7-4-5-8-12(11)14/h1,4-5,7-8,13-14,16H,3,6,9-10,15H2
InChIKeyCXHNHPKXADSPDA-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.13
Rot. Bonds4

About 3-N-pent-4-ynyl-2,3-dihydro-1H-indene-1,3-diamine

3-N-pent-4-ynyl-2,3-dihydro-1H-indene-1,3-diamine (PubChem CID 106220652) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-N-pent-4-ynyl-2,3-dihydro-1H-indene-1,3-diamine.

Molecular Properties

Compound Name3-N-pent-4-ynyl-2,3-dihydro-1H-indene-1,3-diamine
PubChem CID106220652
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-N-pent-4-ynyl-2,3-dihydro-1H-indene-1,3-diamine
SMILESC#CCCCNC1CC(N)c2ccccc21
InChIInChI=1S/C14H18N2/c1-2-3-6-9-16-14-10-13(15)11-7-4-5-8-12(11)14/h1,4-5,7-8,13-14,16H,3,6,9-10,15H2
InChIKeyCXHNHPKXADSPDA-UHFFFAOYSA-N
XLogP2.13
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-N-(2-prop-2-ynylsulfanylethyl)-2,3-dihydro-1H-indene-1,3-diamine
CID 106426589
N-pent-4-ynyl-2,3-dihydro-1H-inden-1-amine
CID 115724846
1,1-dioxo-N-pent-4-ynyl-2,3-dihydro-1-benzothiophen-3-amine
CID 114160013
N-hex-5-ynyl-3,4-dihydro-2H-thiochromen-4-amine
CID 103903582
3-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine
CID 114515188
N-hex-5-ynyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 104925177
(6S)-6-methyl-N-pent-4-ynyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 103786897
3-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine
CID 106414514
N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 63656053
3-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-1,3-diamine
CID 113365084
5-[[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrrolidin-2-one
CID 113365132
N-hex-5-ynyl-4-phenylcyclohexan-1-amine
CID 103903638

Frequently Asked Questions

What is the IUPAC name of 3-N-pent-4-ynyl-2,3-dihydro-1H-indene-1,3-diamine?
The IUPAC name of 3-N-pent-4-ynyl-2,3-dihydro-1H-indene-1,3-diamine (CID 106220652) is 3-N-pent-4-ynyl-2,3-dihydro-1H-indene-1,3-diamine.
What is the SMILES notation for 3-N-pent-4-ynyl-2,3-dihydro-1H-indene-1,3-diamine?
The canonical SMILES for 3-N-pent-4-ynyl-2,3-dihydro-1H-indene-1,3-diamine is C#CCCCNC1CC(N)c2ccccc21.
What is the InChIKey of 3-N-pent-4-ynyl-2,3-dihydro-1H-indene-1,3-diamine?
The InChIKey is CXHNHPKXADSPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-3-6-9-16-14-10-13(15)11-7-4-5-8-12(11)14/h1,4-5,7-8,13-14,16H,3,6,9-10,15H2.
What are the key properties of 3-N-pent-4-ynyl-2,3-dihydro-1H-indene-1,3-diamine?
3-N-pent-4-ynyl-2,3-dihydro-1H-indene-1,3-diamine has a molecular weight of 214.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-pent-4-ynyl-2,3-dihydro-1H-indene-1,3-diamine is sourced from PubChem (CID 106220652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).