N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]methanamine

C24H42N4O — CID 29021716

IUPACN-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]methanamine
SMILESCCCCc1ncc(CN(CC2CCN(C3CCCC3)CC2)C[C@@H]2CCCO2)[nH]1
InChIInChI=1S/C24H42N4O/c1-2-3-10-24-25-16-21(26-24)18-27(19-23-9-6-15-29-23)17-20-11-13-28(14-12-20)22-7-4-5-8-22/h16,20,22-23H,2-15,17-19H2,1H3,(H,25,26)/t23-/m0/s1
InChIKeyFDEFMMWCKBGRJT-QHCPKHFHSA-N
MW402.63 g/mol
LogP4.39
Rot. Bonds10

About N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]methanamine

N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]methanamine (PubChem CID 29021716) has the molecular formula C24H42N4O and a molecular weight of 402.63 g/mol. Its IUPAC name is N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]methanamine.

Molecular Properties

Compound NameN-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]methanamine
PubChem CID29021716
Molecular FormulaC24H42N4O
Molecular Weight402.63 g/mol
Exact Mass402.34
IUPAC NameN-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]methanamine
SMILESCCCCc1ncc(CN(CC2CCN(C3CCCC3)CC2)C[C@@H]2CCCO2)[nH]1
InChIInChI=1S/C24H42N4O/c1-2-3-10-24-25-16-21(26-24)18-27(19-23-9-6-15-29-23)17-20-11-13-28(14-12-20)22-7-4-5-8-22/h16,20,22-23H,2-15,17-19H2,1H3,(H,25,26)/t23-/m0/s1
InChIKeyFDEFMMWCKBGRJT-QHCPKHFHSA-N
XLogP4.39
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.63
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]methanamine?
The IUPAC name of N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]methanamine (CID 29021716) is N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]methanamine.
What is the SMILES notation for N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]methanamine?
The canonical SMILES for N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]methanamine is CCCCc1ncc(CN(CC2CCN(C3CCCC3)CC2)C[C@@H]2CCCO2)[nH]1.
What is the InChIKey of N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]methanamine?
The InChIKey is FDEFMMWCKBGRJT-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H42N4O/c1-2-3-10-24-25-16-21(26-24)18-27(19-23-9-6-15-29-23)17-20-11-13-28(14-12-20)22-7-4-5-8-22/h16,20,22-23H,2-15,17-19H2,1H3,(H,25,26)/t23-/m0/s1.
What are the key properties of N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]methanamine?
N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]methanamine has a molecular weight of 402.63 g/mol, XLogP of 4.39, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]methanamine is sourced from PubChem (CID 29021716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).