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N-[3-[3-[(5-cyclohexyl-2-pyridinyl)methyl]-2-methylideneimidazolidin-1-yl]-2-methylpropyl]-2,3-dihydro-1H-inden-5-amine

C29H40N4 — CID 157086991

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[3-[3-[(5-cyclohexyl-2-pyridinyl)methyl]-2-methylideneimidazolidin-1-yl]-2-methylpropyl]-2,3-dihydro-1H-inden-5-amine
SMILESC=C1N(Cc2ccc(C3CCCCC3)cn2)CCN1CC(C)CNc1ccc2c(c1)CCC2
InChIInChI=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
InChIKeyAEEYOMCIPQPYAB-UHFFFAOYSA-N
MW444.67 g/mol
LogP5.95
Rot. Bonds8

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 NameN-[3-[3-[(5-cyclohexyl-2-pyridinyl)methyl]-2-methylideneimidazolidin-1-yl]-2-methylpropyl]-2,3-dihydro-1H-inden-5-amine
PubChem CID157086991
Molecular FormulaC29H40N4
Molecular Weight444.67 g/mol
Exact Mass444.33
IUPAC NameN-[3-[3-[(5-cyclohexyl-2-pyridinyl)methyl]-2-methylideneimidazolidin-1-yl]-2-methylpropyl]-2,3-dihydro-1H-inden-5-amine
SMILESC=C1N(Cc2ccc(C3CCCCC3)cn2)CCN1CC(C)CNc1ccc2c(c1)CCC2
InChIInChI=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
InChIKeyAEEYOMCIPQPYAB-UHFFFAOYSA-N
XLogP5.95
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.67
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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).

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