(1S,3R,4S)-3-amino-N,N-dimethyl-4-(methylamino)cyclohexane-1-carboxamide

C10H21N3O — CID 135178318

IUPAC(1S,3R,4S)-3-amino-N,N-dimethyl-4-(methylamino)cyclohexane-1-carboxamide
SMILESCN[C@H]1CC[C@H](C(=O)N(C)C)C[C@H]1N
InChIInChI=1S/C10H21N3O/c1-12-9-5-4-7(6-8(9)11)10(14)13(2)3/h7-9,12H,4-6,11H2,1-3H3/t7-,8+,9-/m0/s1
InChIKeyNADBYZLZUDZNCF-YIZRAAEISA-N
MW199.30 g/mol
LogP-0.21
Rot. Bonds2

About (1S,3R,4S)-3-amino-N,N-dimethyl-4-(methylamino)cyclohexane-1-carboxamide

(1S,3R,4S)-3-amino-N,N-dimethyl-4-(methylamino)cyclohexane-1-carboxamide (PubChem CID 135178318) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is (1S,3R,4S)-3-amino-N,N-dimethyl-4-(methylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,3R,4S)-3-amino-N,N-dimethyl-4-(methylamino)cyclohexane-1-carboxamide
PubChem CID135178318
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name(1S,3R,4S)-3-amino-N,N-dimethyl-4-(methylamino)cyclohexane-1-carboxamide
SMILESCN[C@H]1CC[C@H](C(=O)N(C)C)C[C@H]1N
InChIInChI=1S/C10H21N3O/c1-12-9-5-4-7(6-8(9)11)10(14)13(2)3/h7-9,12H,4-6,11H2,1-3H3/t7-,8+,9-/m0/s1
InChIKeyNADBYZLZUDZNCF-YIZRAAEISA-N
XLogP-0.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,3R,4S)-3-amino-N,N-dimethyl-4-(methylamino)cyclohexane-1-carboxamide?
The IUPAC name of (1S,3R,4S)-3-amino-N,N-dimethyl-4-(methylamino)cyclohexane-1-carboxamide (CID 135178318) is (1S,3R,4S)-3-amino-N,N-dimethyl-4-(methylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for (1S,3R,4S)-3-amino-N,N-dimethyl-4-(methylamino)cyclohexane-1-carboxamide?
The canonical SMILES for (1S,3R,4S)-3-amino-N,N-dimethyl-4-(methylamino)cyclohexane-1-carboxamide is CN[C@H]1CC[C@H](C(=O)N(C)C)C[C@H]1N.
What is the InChIKey of (1S,3R,4S)-3-amino-N,N-dimethyl-4-(methylamino)cyclohexane-1-carboxamide?
The InChIKey is NADBYZLZUDZNCF-YIZRAAEISA-N. The full InChI is InChI=1S/C10H21N3O/c1-12-9-5-4-7(6-8(9)11)10(14)13(2)3/h7-9,12H,4-6,11H2,1-3H3/t7-,8+,9-/m0/s1.
What are the key properties of (1S,3R,4S)-3-amino-N,N-dimethyl-4-(methylamino)cyclohexane-1-carboxamide?
(1S,3R,4S)-3-amino-N,N-dimethyl-4-(methylamino)cyclohexane-1-carboxamide has a molecular weight of 199.30 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4S)-3-amino-N,N-dimethyl-4-(methylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 135178318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).