N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide

C24H46N4O2 — CID 167805292

IUPACN,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide
SMILESCC(CC(=O)NCC1(N(C)C)CCCCC1)CC(=O)NCC1(N(C)C)CCCCC1
InChIInChI=1S/C24H46N4O2/c1-20(16-21(29)25-18-23(27(2)3)12-8-6-9-13-23)17-22(30)26-19-24(28(4)5)14-10-7-11-15-24/h20H,6-19H2,1-5H3,(H,25,29)(H,26,30)
InChIKeyZYMSZNKCPNBHTR-UHFFFAOYSA-N
MW422.66 g/mol
LogP3.16
Rot. Bonds10

About N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide

N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide (PubChem CID 167805292) has the molecular formula C24H46N4O2 and a molecular weight of 422.66 g/mol. Its IUPAC name is N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide.

Molecular Properties

Compound NameN,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide
PubChem CID167805292
Molecular FormulaC24H46N4O2
Molecular Weight422.66 g/mol
Exact Mass422.36
IUPAC NameN,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide
SMILESCC(CC(=O)NCC1(N(C)C)CCCCC1)CC(=O)NCC1(N(C)C)CCCCC1
InChIInChI=1S/C24H46N4O2/c1-20(16-21(29)25-18-23(27(2)3)12-8-6-9-13-23)17-22(30)26-19-24(28(4)5)14-10-7-11-15-24/h20H,6-19H2,1-5H3,(H,25,29)(H,26,30)
InChIKeyZYMSZNKCPNBHTR-UHFFFAOYSA-N
XLogP3.16
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.66
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide
CID 119834021
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CID 61248624
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-phenylbutanamide
CID 4787583
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide
CID 83109875
6-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylhexanamide
CID 83110420
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide
CID 107034071
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide
CID 62836666
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
CID 105408997
3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-sulfanylidenepropanamide
CID 83109897
2-(2,2-difluorocyclopropyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide
CID 122568972
2-[(1S)-2,2-difluorocyclopropyl]-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide
CID 125445510
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119830098

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide?
The IUPAC name of N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide (CID 167805292) is N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide.
What is the SMILES notation for N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide?
The canonical SMILES for N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide is CC(CC(=O)NCC1(N(C)C)CCCCC1)CC(=O)NCC1(N(C)C)CCCCC1.
What is the InChIKey of N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide?
The InChIKey is ZYMSZNKCPNBHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N4O2/c1-20(16-21(29)25-18-23(27(2)3)12-8-6-9-13-23)17-22(30)26-19-24(28(4)5)14-10-7-11-15-24/h20H,6-19H2,1-5H3,(H,25,29)(H,26,30).
What are the key properties of N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide?
N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide has a molecular weight of 422.66 g/mol, XLogP of 3.16, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide is sourced from PubChem (CID 167805292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).