4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1H-pyrrole-2-carboxamide

C15H26N4O — CID 61210791

IUPAC4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCC1CCCC(CNC(=O)c2cc(N)c[nH]2)(N(C)C)C1
InChIInChI=1S/C15H26N4O/c1-11-5-4-6-15(8-11,19(2)3)10-18-14(20)13-7-12(16)9-17-13/h7,9,11,17H,4-6,8,10,16H2,1-3H3,(H,18,20)
InChIKeyDNSFROQACDFOJI-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.84
Rot. Bonds4

About 4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1H-pyrrole-2-carboxamide

4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 61210791) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID61210791
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCC1CCCC(CNC(=O)c2cc(N)c[nH]2)(N(C)C)C1
InChIInChI=1S/C15H26N4O/c1-11-5-4-6-15(8-11,19(2)3)10-18-14(20)13-7-12(16)9-17-13/h7,9,11,17H,4-6,8,10,16H2,1-3H3,(H,18,20)
InChIKeyDNSFROQACDFOJI-UHFFFAOYSA-N
XLogP1.84
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-methylpyrrole-2-carboxamide
CID 61210970
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2H-triazole-4-carboxamide
CID 78968404
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]benzamide
CID 61210410
(2R)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide
CID 103814097
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119861051
1-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclopropane-1-carboxamide
CID 115453085
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide
CID 61210809
(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide
CID 61211559
2-amino-N-[2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-2-oxoethyl]acetamide
CID 61211937
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide
CID 62668555
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpentanamide
CID 61211375
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61212124

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1H-pyrrole-2-carboxamide (CID 61210791) is 4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1H-pyrrole-2-carboxamide is CC1CCCC(CNC(=O)c2cc(N)c[nH]2)(N(C)C)C1.
What is the InChIKey of 4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is DNSFROQACDFOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11-5-4-6-15(8-11,19(2)3)10-18-14(20)13-7-12(16)9-17-13/h7,9,11,17H,4-6,8,10,16H2,1-3H3,(H,18,20).
What are the key properties of 4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1H-pyrrole-2-carboxamide?
4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61210791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).