N'-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine

C16H26N2 — CID 59230700

IUPACN'-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine
SMILESCC1CC(C)c2cc(NCCCCCN)ccc21
InChIInChI=1S/C16H26N2/c1-12-10-13(2)16-11-14(6-7-15(12)16)18-9-5-3-4-8-17/h6-7,11-13,18H,3-5,8-10,17H2,1-2H3
InChIKeySIMLBDJSZDKBJU-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.84
Rot. Bonds6

About N'-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine

N'-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine (PubChem CID 59230700) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N'-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine
PubChem CID59230700
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN'-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine
SMILESCC1CC(C)c2cc(NCCCCCN)ccc21
InChIInChI=1S/C16H26N2/c1-12-10-13(2)16-11-14(6-7-15(12)16)18-9-5-3-4-8-17/h6-7,11-13,18H,3-5,8-10,17H2,1-2H3
InChIKeySIMLBDJSZDKBJU-UHFFFAOYSA-N
XLogP3.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.84
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'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
CID 59230672
N'-(3,4-dimethylphenyl)butane-1,4-diamine
CID 94253623
N'-(3,4-difluorophenyl)butane-1,4-diamine
CID 83953114
N'-(2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine
CID 59229873
N'-(3-chloro-4-methylphenyl)butane-1,4-diamine
CID 94256638
N'-naphthalen-2-ylhexane-1,6-diamine
CID 83955962
4-N-(6-aminohexyl)benzene-1,4-diamine
CID 150601904
N'-(4-propan-2-ylphenyl)hexane-1,6-diamine
CID 83952205
1-[3-(6-aminohexylamino)phenyl]ethanol
CID 83962976
N'-phenylheptane-1,7-diamine
CID 61149618
N'-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]hexane-1,6-diamine
CID 83960954
N'-[3-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 94261042

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine?
The IUPAC name of N'-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine (CID 59230700) is N'-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine.
What is the SMILES notation for N'-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine?
The canonical SMILES for N'-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine is CC1CC(C)c2cc(NCCCCCN)ccc21.
What is the InChIKey of N'-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine?
The InChIKey is SIMLBDJSZDKBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-10-13(2)16-11-14(6-7-15(12)16)18-9-5-3-4-8-17/h6-7,11-13,18H,3-5,8-10,17H2,1-2H3.
What are the key properties of N'-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine?
N'-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine is sourced from PubChem (CID 59230700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).