N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide

C14H29N3O — CID 62836666

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NCC1(N(C)C)CCCCC1
InChIInChI=1S/C14H29N3O/c1-4-15-11-8-13(18)16-12-14(17(2)3)9-6-5-7-10-14/h15H,4-12H2,1-3H3,(H,16,18)
InChIKeyNFCSRPFLPHDNOO-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.37
Rot. Bonds7

About N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide

N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide (PubChem CID 62836666) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide
PubChem CID62836666
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NCC1(N(C)C)CCCCC1
InChIInChI=1S/C14H29N3O/c1-4-15-11-8-13(18)16-12-14(17(2)3)9-6-5-7-10-14/h15H,4-12H2,1-3H3,(H,16,18)
InChIKeyNFCSRPFLPHDNOO-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide
CID 61248624
3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide
CID 105415955
6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid
CID 83116908
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide
CID 122564590
5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pentanamide
CID 83117115
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide
CID 83109875
4-(cyclohexylcarbamoylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide
CID 47056235
N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide
CID 167805292
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)cyclohexyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 78914071
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-sulfamoylbutanamide;formic acid
CID 154913579

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide (CID 62836666) is N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide is CCNCCC(=O)NCC1(N(C)C)CCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide?
The InChIKey is NFCSRPFLPHDNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-15-11-8-13(18)16-12-14(17(2)3)9-6-5-7-10-14/h15H,4-12H2,1-3H3,(H,16,18).
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide?
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide has a molecular weight of 255.41 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide is sourced from PubChem (CID 62836666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).