N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide

C15H31N3O — CID 61248624

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NCC1(N(C)C)CCCCC1
InChIInChI=1S/C15H31N3O/c1-13(2)16-11-8-14(19)17-12-15(18(3)4)9-6-5-7-10-15/h13,16H,5-12H2,1-4H3,(H,17,19)
InChIKeyRADAHZYNMWIYHS-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.76
Rot. Bonds7

About N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide

N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide (PubChem CID 61248624) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide
PubChem CID61248624
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NCC1(N(C)C)CCCCC1
InChIInChI=1S/C15H31N3O/c1-13(2)16-11-8-14(19)17-12-15(18(3)4)9-6-5-7-10-15/h13,16H,5-12H2,1-4H3,(H,17,19)
InChIKeyRADAHZYNMWIYHS-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide
CID 62836666
N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide
CID 167805292
3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide
CID 119834021
6-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylhexanamide
CID 83110420
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide
CID 122564590
6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid
CID 83116908
3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide
CID 105415955
5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pentanamide
CID 83117115
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide
CID 83109875
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
CID 105408997
4-(cyclohexylcarbamoylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide
CID 47056235
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide
CID 107034071

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide (CID 61248624) is N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)NCC1(N(C)C)CCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is RADAHZYNMWIYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-13(2)16-11-8-14(19)17-12-15(18(3)4)9-6-5-7-10-15/h13,16H,5-12H2,1-4H3,(H,17,19).
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide?
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 269.43 g/mol, XLogP of 1.76, 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-(propan-2-ylamino)propanamide is sourced from PubChem (CID 61248624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).