[(2R,3R)-1-methyl-2-(2-methylpropyl)azepan-3-yl]methanamine

C12H26N2 — CID 96620784

IUPAC[(2R,3R)-1-methyl-2-(2-methylpropyl)azepan-3-yl]methanamine
SMILESCC(C)C[C@@H]1[C@@H](CN)CCCCN1C
InChIInChI=1S/C12H26N2/c1-10(2)8-12-11(9-13)6-4-5-7-14(12)3/h10-12H,4-9,13H2,1-3H3/t11-,12-/m1/s1
InChIKeyUDORNDCCFWSRLT-VXGBXAGGSA-N
MW198.35 g/mol
LogP2.09
Rot. Bonds3

About [(2R,3R)-1-methyl-2-(2-methylpropyl)azepan-3-yl]methanamine

[(2R,3R)-1-methyl-2-(2-methylpropyl)azepan-3-yl]methanamine (PubChem CID 96620784) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is [(2R,3R)-1-methyl-2-(2-methylpropyl)azepan-3-yl]methanamine.

Molecular Properties

Compound Name[(2R,3R)-1-methyl-2-(2-methylpropyl)azepan-3-yl]methanamine
PubChem CID96620784
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name[(2R,3R)-1-methyl-2-(2-methylpropyl)azepan-3-yl]methanamine
SMILESCC(C)C[C@@H]1[C@@H](CN)CCCCN1C
InChIInChI=1S/C12H26N2/c1-10(2)8-12-11(9-13)6-4-5-7-14(12)3/h10-12H,4-9,13H2,1-3H3/t11-,12-/m1/s1
InChIKeyUDORNDCCFWSRLT-VXGBXAGGSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,3R)-2-ethyl-1-methylpiperidin-3-yl]methanamine
CID 82416011
1-methyl-2-(2-methylpropyl)azepane
CID 130636029
[(2S,3R)-1-methyl-2-(trifluoromethyl)azepan-3-yl]methanamine
CID 96614436
[(2R,3R)-2-ethyl-1-(2-methylpropyl)azepan-3-yl]methanamine
CID 96612828
(1,2-dimethylpiperidin-3-yl)methanamine
CID 83669908
[2-(1-methylpiperidin-2-yl)cyclopropyl]methanamine
CID 130138227
1-[2-(aminomethyl)cycloheptyl]propan-2-amine
CID 156725506
1,2-bis(2-methylpropyl)cycloheptane
CID 175310859
2-[(2R,3R)-1-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]acetic acid
CID 96620489
[(2R,3R)-2-cyclopropyl-1-propan-2-ylazepan-3-yl]methanamine
CID 96614134
[(2R,3S)-1,3-dimethylpiperidin-2-yl]methanamine
CID 124835848
1-(1-methylazepan-2-yl)propan-2-ol
CID 114338740

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-1-methyl-2-(2-methylpropyl)azepan-3-yl]methanamine?
The IUPAC name of [(2R,3R)-1-methyl-2-(2-methylpropyl)azepan-3-yl]methanamine (CID 96620784) is [(2R,3R)-1-methyl-2-(2-methylpropyl)azepan-3-yl]methanamine.
What is the SMILES notation for [(2R,3R)-1-methyl-2-(2-methylpropyl)azepan-3-yl]methanamine?
The canonical SMILES for [(2R,3R)-1-methyl-2-(2-methylpropyl)azepan-3-yl]methanamine is CC(C)C[C@@H]1[C@@H](CN)CCCCN1C.
What is the InChIKey of [(2R,3R)-1-methyl-2-(2-methylpropyl)azepan-3-yl]methanamine?
The InChIKey is UDORNDCCFWSRLT-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)8-12-11(9-13)6-4-5-7-14(12)3/h10-12H,4-9,13H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of [(2R,3R)-1-methyl-2-(2-methylpropyl)azepan-3-yl]methanamine?
[(2R,3R)-1-methyl-2-(2-methylpropyl)azepan-3-yl]methanamine has a molecular weight of 198.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-1-methyl-2-(2-methylpropyl)azepan-3-yl]methanamine is sourced from PubChem (CID 96620784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).