2-[[(1R,2S)-2-cyclopropylcyclopropyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine

C17H23N3 — CID 122098172

IUPAC2-[[(1R,2S)-2-cyclopropylcyclopropyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
SMILESN/C(=N\C[C@@H]1C[C@H]1C1CC1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C17H23N3/c18-17(19-10-14-9-16(14)12-4-5-12)20-15-7-6-11-2-1-3-13(11)8-15/h6-8,12,14,16H,1-5,9-10H2,(H3,18,19,20)/t14-,16-/m0/s1
InChIKeyVMYNLRBCEHPIMQ-HOCLYGCPSA-N
MW269.39 g/mol
LogP2.95
Rot. Bonds4

About 2-[[(1R,2S)-2-cyclopropylcyclopropyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine

2-[[(1R,2S)-2-cyclopropylcyclopropyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine (PubChem CID 122098172) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[[(1R,2S)-2-cyclopropylcyclopropyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine.

Molecular Properties

Compound Name2-[[(1R,2S)-2-cyclopropylcyclopropyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
PubChem CID122098172
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-[[(1R,2S)-2-cyclopropylcyclopropyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
SMILESN/C(=N\C[C@@H]1C[C@H]1C1CC1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C17H23N3/c18-17(19-10-14-9-16(14)12-4-5-12)20-15-7-6-11-2-1-3-13(11)8-15/h6-8,12,14,16H,1-5,9-10H2,(H3,18,19,20)/t14-,16-/m0/s1
InChIKeyVMYNLRBCEHPIMQ-HOCLYGCPSA-N
XLogP2.95
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 120666060
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111810583
1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-ylmethyl)guanidine
CID 119118923
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 111086787
1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-2-ylmethyl)guanidine
CID 119120023
2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111814632
1-(2,3-dihydro-1H-inden-5-yl)-2-[(5-methyloxolan-2-yl)methyl]guanidine
CID 122098481
2-(2-cycloheptyloxyethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111812567
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 122096821
2-benzyl-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111022842
2-but-3-ynyl-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 119147795
2-[2-(cyclopropylmethoxy)ethyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111801942

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2S)-2-cyclopropylcyclopropyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine?
The IUPAC name of 2-[[(1R,2S)-2-cyclopropylcyclopropyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine (CID 122098172) is 2-[[(1R,2S)-2-cyclopropylcyclopropyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine.
What is the SMILES notation for 2-[[(1R,2S)-2-cyclopropylcyclopropyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine?
The canonical SMILES for 2-[[(1R,2S)-2-cyclopropylcyclopropyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine is N/C(=N\C[C@@H]1C[C@H]1C1CC1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 2-[[(1R,2S)-2-cyclopropylcyclopropyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine?
The InChIKey is VMYNLRBCEHPIMQ-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H23N3/c18-17(19-10-14-9-16(14)12-4-5-12)20-15-7-6-11-2-1-3-13(11)8-15/h6-8,12,14,16H,1-5,9-10H2,(H3,18,19,20)/t14-,16-/m0/s1.
What are the key properties of 2-[[(1R,2S)-2-cyclopropylcyclopropyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine?
2-[[(1R,2S)-2-cyclopropylcyclopropyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine has a molecular weight of 269.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2S)-2-cyclopropylcyclopropyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine is sourced from PubChem (CID 122098172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).