1-N-heptan-2-yl-2,3-dihydro-1H-indene-1,5-diamine

C16H26N2 — CID 79725171

IUPAC1-N-heptan-2-yl-2,3-dihydro-1H-indene-1,5-diamine
SMILESCCCCCC(C)NC1CCc2cc(N)ccc21
InChIInChI=1S/C16H26N2/c1-3-4-5-6-12(2)18-16-10-7-13-11-14(17)8-9-15(13)16/h8-9,11-12,16,18H,3-7,10,17H2,1-2H3
InChIKeyVNTFGBPZJZIDBM-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.81
Rot. Bonds6

About 1-N-heptan-2-yl-2,3-dihydro-1H-indene-1,5-diamine

1-N-heptan-2-yl-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79725171) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-N-heptan-2-yl-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-heptan-2-yl-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79725171
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-N-heptan-2-yl-2,3-dihydro-1H-indene-1,5-diamine
SMILESCCCCCC(C)NC1CCc2cc(N)ccc21
InChIInChI=1S/C16H26N2/c1-3-4-5-6-12(2)18-16-10-7-13-11-14(17)8-9-15(13)16/h8-9,11-12,16,18H,3-7,10,17H2,1-2H3
InChIKeyVNTFGBPZJZIDBM-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-pentan-2-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 107886838
1-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79741972
N-nonan-2-yl-2,3-dihydro-1H-inden-1-amine
CID 43129999
1-N-(1-methoxypropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79735935
N-heptan-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366850
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentan-1-ol
CID 106348823
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol
CID 79740783
1-N-[(1S)-1-phenylethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 81351089
1-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650654
1-N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79724744
N-butan-2-yl-5-methyl-2,3-dihydro-1H-inden-1-amine
CID 115705716
1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol
CID 113492094

Frequently Asked Questions

What is the IUPAC name of 1-N-heptan-2-yl-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-heptan-2-yl-2,3-dihydro-1H-indene-1,5-diamine (CID 79725171) is 1-N-heptan-2-yl-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-heptan-2-yl-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-heptan-2-yl-2,3-dihydro-1H-indene-1,5-diamine is CCCCCC(C)NC1CCc2cc(N)ccc21.
What is the InChIKey of 1-N-heptan-2-yl-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is VNTFGBPZJZIDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-4-5-6-12(2)18-16-10-7-13-11-14(17)8-9-15(13)16/h8-9,11-12,16,18H,3-7,10,17H2,1-2H3.
What are the key properties of 1-N-heptan-2-yl-2,3-dihydro-1H-indene-1,5-diamine?
1-N-heptan-2-yl-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-heptan-2-yl-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79725171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).