About N-[3-[3-[(5-cyclohexyl-2-pyridinyl)methyl]-2-methylideneimidazolidin-1-yl]-2-methylpropyl]-2,3-dihydro-1H-inden-5-amine
N-[3-[3-[(5-cyclohexyl-2-pyridinyl)methyl]-2-methylideneimidazolidin-1-yl]-2-methylpropyl]-2,3-dihydro-1H-inden-5-amine (PubChem CID 157086991) has the molecular formula C29H40N4
and a molecular weight of 444.67 g/mol. Its IUPAC name is N-[3-[3-[(5-cyclohexyl-2-pyridinyl)methyl]-2-methylideneimidazolidin-1-yl]-2-methylpropyl]-2,3-dihydro-1H-inden-5-amine.
Molecular Properties
| Compound Name | N-[3-[3-[(5-cyclohexyl-2-pyridinyl)methyl]-2-methylideneimidazolidin-1-yl]-2-methylpropyl]-2,3-dihydro-1H-inden-5-amine |
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| PubChem CID | 157086991 |
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| Molecular Formula | C29H40N4 |
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| Molecular Weight | 444.67 g/mol |
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| Exact Mass | 444.33 |
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| IUPAC Name | N-[3-[3-[(5-cyclohexyl-2-pyridinyl)methyl]-2-methylideneimidazolidin-1-yl]-2-methylpropyl]-2,3-dihydro-1H-inden-5-amine |
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| SMILES | C=C1N(Cc2ccc(C3CCCCC3)cn2)CCN1CC(C)CNc1ccc2c(c1)CCC2 |
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| InChI | InChI=1S/C29H40N4/c1-22(18-30-28-13-11-25-9-6-10-26(25)17-28)20-32-15-16-33(23(32)2)21-29-14-12-27(19-31-29)24-7-4-3-5-8-24/h11-14,17,19,22,24,30H,2-10,15-16,18,20-21H2,1H3 |
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| InChIKey | AEEYOMCIPQPYAB-UHFFFAOYSA-N |
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| XLogP | 5.95 |
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| TPSA | 31.40 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 444.67 |
| LogP ≤ 5 | 5.95 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of N-[3-[3-[(5-cyclohexyl-2-pyridinyl)methyl]-2-methylideneimidazolidin-1-yl]-2-methylpropyl]-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-[3-[3-[(5-cyclohexyl-2-pyridinyl)methyl]-2-methylideneimidazolidin-1-yl]-2-methylpropyl]-2,3-dihydro-1H-inden-5-amine (CID 157086991) is N-[3-[3-[(5-cyclohexyl-2-pyridinyl)methyl]-2-methylideneimidazolidin-1-yl]-2-methylpropyl]-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-[3-[3-[(5-cyclohexyl-2-pyridinyl)methyl]-2-methylideneimidazolidin-1-yl]-2-methylpropyl]-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-[3-[3-[(5-cyclohexyl-2-pyridinyl)methyl]-2-methylideneimidazolidin-1-yl]-2-methylpropyl]-2,3-dihydro-1H-inden-5-amine is C=C1N(Cc2ccc(C3CCCCC3)cn2)CCN1CC(C)CNc1ccc2c(c1)CCC2.
What is the InChIKey of N-[3-[3-[(5-cyclohexyl-2-pyridinyl)methyl]-2-methylideneimidazolidin-1-yl]-2-methylpropyl]-2,3-dihydro-1H-inden-5-amine?
The InChIKey is AEEYOMCIPQPYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4/c1-22(18-30-28-13-11-25-9-6-10-26(25)17-28)20-32-15-16-33(23(32)2)21-29-14-12-27(19-31-29)24-7-4-3-5-8-24/h11-14,17,19,22,24,30H,2-10,15-16,18,20-21H2,1H3.
What are the key properties of N-[3-[3-[(5-cyclohexyl-2-pyridinyl)methyl]-2-methylideneimidazolidin-1-yl]-2-methylpropyl]-2,3-dihydro-1H-inden-5-amine?
N-[3-[3-[(5-cyclohexyl-2-pyridinyl)methyl]-2-methylideneimidazolidin-1-yl]-2-methylpropyl]-2,3-dihydro-1H-inden-5-amine has a molecular weight of 444.67 g/mol, XLogP of 5.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(5-cyclohexyl-2-pyridinyl)methyl]-2-methylideneimidazolidin-1-yl]-2-methylpropyl]-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 157086991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).