N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanamine

C16H24N2 — CID 115244287

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
SMILESNCC1(CNCCc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C16H24N2/c17-11-16(7-8-16)12-18-9-6-13-4-5-14-2-1-3-15(14)10-13/h4-5,10,18H,1-3,6-9,11-12,17H2
InChIKeyLTUXLWOSEZVDCE-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.05
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanamine

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanamine (PubChem CID 115244287) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
PubChem CID115244287
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
SMILESNCC1(CNCCc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C16H24N2/c17-11-16(7-8-16)12-18-9-6-13-4-5-14-2-1-3-15(14)10-13/h4-5,10,18H,1-3,6-9,11-12,17H2
InChIKeyLTUXLWOSEZVDCE-UHFFFAOYSA-N
XLogP2.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 115244272
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3,4-dimethylphenyl)ethanamine
CID 115245892
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine
CID 115244289
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 115244276
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 115245897
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(1,3-benzoxazol-6-yl)ethanamine
CID 115245921
N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-ethylethane-1,2-diamine
CID 115205974
2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 61070182
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-ethoxy-3-fluorophenyl)ethanamine
CID 115244309
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1-methylbenzimidazol-5-yl)ethanamine
CID 115244333
2-(2,3-dihydro-1H-inden-5-yl)ethanamine;hydrochloride
CID 135381745
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanamine (CID 115244287) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanamine is NCC1(CNCCc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanamine?
The InChIKey is LTUXLWOSEZVDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c17-11-16(7-8-16)12-18-9-6-13-4-5-14-2-1-3-15(14)10-13/h4-5,10,18H,1-3,6-9,11-12,17H2.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanamine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanamine has a molecular weight of 244.38 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanamine is sourced from PubChem (CID 115244287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).