N-heptan-4-yl-2,3-dihydro-1H-inden-2-amine

C16H25N — CID 104694875

IUPACN-heptan-4-yl-2,3-dihydro-1H-inden-2-amine
SMILESCCCC(CCC)NC1Cc2ccccc2C1
InChIInChI=1S/C16H25N/c1-3-7-15(8-4-2)17-16-11-13-9-5-6-10-14(13)12-16/h5-6,9-10,15-17H,3-4,7-8,11-12H2,1-2H3
InChIKeyGMCWSLMVPYHKDP-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.71
Rot. Bonds6

About N-heptan-4-yl-2,3-dihydro-1H-inden-2-amine

N-heptan-4-yl-2,3-dihydro-1H-inden-2-amine (PubChem CID 104694875) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-heptan-4-yl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-heptan-4-yl-2,3-dihydro-1H-inden-2-amine
PubChem CID104694875
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-heptan-4-yl-2,3-dihydro-1H-inden-2-amine
SMILESCCCC(CCC)NC1Cc2ccccc2C1
InChIInChI=1S/C16H25N/c1-3-7-15(8-4-2)17-16-11-13-9-5-6-10-14(13)12-16/h5-6,9-10,15-17H,3-4,7-8,11-12H2,1-2H3
InChIKeyGMCWSLMVPYHKDP-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-hex-1-yn-3-yl-2,3-dihydro-1H-inden-2-amine
CID 106227277
N-[(2R)-butan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 93092975
3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybutan-1-ol
CID 103785498
N-(1-phenylhexan-3-yl)cyclopropanamine
CID 115704621
2-N-(2,3-dihydro-1H-inden-2-yl)propane-1,2-diamine
CID 107850036
(2S)-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butan-1-ol
CID 93026650
N-[1-(4-propylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107849918
3-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpentan-1-ol
CID 103786504
(2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol
CID 102613736
(2S)-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)butan-1-ol;hydrochloride
CID 91662998
1-(2,3-dihydro-1H-inden-2-yl)butan-1-ol
CID 65409784
N-hexan-3-ylcyclopropanamine
CID 103920845

Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-heptan-4-yl-2,3-dihydro-1H-inden-2-amine (CID 104694875) is N-heptan-4-yl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-heptan-4-yl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-heptan-4-yl-2,3-dihydro-1H-inden-2-amine is CCCC(CCC)NC1Cc2ccccc2C1.
What is the InChIKey of N-heptan-4-yl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is GMCWSLMVPYHKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-7-15(8-4-2)17-16-11-13-9-5-6-10-14(13)12-16/h5-6,9-10,15-17H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of N-heptan-4-yl-2,3-dihydro-1H-inden-2-amine?
N-heptan-4-yl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 231.38 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 104694875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).