2-amino-N-[2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-2-oxoethyl]acetamide

C14H28N4O2 — CID 61211937

IUPAC2-amino-N-[2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-2-oxoethyl]acetamide
SMILESCC1CCCC(CNC(=O)CNC(=O)CN)(N(C)C)C1
InChIInChI=1S/C14H28N4O2/c1-11-5-4-6-14(7-11,18(2)3)10-17-13(20)9-16-12(19)8-15/h11H,4-10,15H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyNAHWFDNBSARNGV-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.31
Rot. Bonds6

About 2-amino-N-[2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-2-oxoethyl]acetamide

2-amino-N-[2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-2-oxoethyl]acetamide (PubChem CID 61211937) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-amino-N-[2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-2-oxoethyl]acetamide
PubChem CID61211937
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name2-amino-N-[2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-2-oxoethyl]acetamide
SMILESCC1CCCC(CNC(=O)CNC(=O)CN)(N(C)C)C1
InChIInChI=1S/C14H28N4O2/c1-11-5-4-6-14(7-11,18(2)3)10-17-13(20)9-16-12(19)8-15/h11H,4-10,15H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyNAHWFDNBSARNGV-UHFFFAOYSA-N
XLogP-0.31
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide
CID 78986830
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide
CID 61210809
3-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide
CID 81086937
1-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclopropane-1-carboxamide
CID 115453085
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide
CID 62668555
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119861051
(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide
CID 61211559
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492175
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3,3-dimethylbutanamide
CID 76895695
2-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide
CID 65229264
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclohexane-1-carboxamide
CID 63045578
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpentanamide
CID 61211375

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-2-oxoethyl]acetamide (CID 61211937) is 2-amino-N-[2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-2-oxoethyl]acetamide is CC1CCCC(CNC(=O)CNC(=O)CN)(N(C)C)C1.
What is the InChIKey of 2-amino-N-[2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-2-oxoethyl]acetamide?
The InChIKey is NAHWFDNBSARNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-11-5-4-6-14(7-11,18(2)3)10-17-13(20)9-16-12(19)8-15/h11H,4-10,15H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of 2-amino-N-[2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-2-oxoethyl]acetamide?
2-amino-N-[2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-2-oxoethyl]acetamide has a molecular weight of 284.40 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 61211937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).