(2S)-N-methyl-1-[(2S)-2-methyl-2-propan-2-ylcyclopropyl]propan-2-amine

C11H23N — CID 139542549

IUPAC(2S)-N-methyl-1-[(2S)-2-methyl-2-propan-2-ylcyclopropyl]propan-2-amine
SMILESCN[C@@H](C)CC1C[C@@]1(C)C(C)C
InChIInChI=1S/C11H23N/c1-8(2)11(4)7-10(11)6-9(3)12-5/h8-10,12H,6-7H2,1-5H3/t9-,10?,11-/m0/s1
InChIKeyCEEWKQDLGDWLHI-JRUYECLLSA-N
MW169.31 g/mol
LogP2.67
Rot. Bonds4

About (2S)-N-methyl-1-[(2S)-2-methyl-2-propan-2-ylcyclopropyl]propan-2-amine

(2S)-N-methyl-1-[(2S)-2-methyl-2-propan-2-ylcyclopropyl]propan-2-amine (PubChem CID 139542549) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (2S)-N-methyl-1-[(2S)-2-methyl-2-propan-2-ylcyclopropyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-N-methyl-1-[(2S)-2-methyl-2-propan-2-ylcyclopropyl]propan-2-amine
PubChem CID139542549
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(2S)-N-methyl-1-[(2S)-2-methyl-2-propan-2-ylcyclopropyl]propan-2-amine
SMILESCN[C@@H](C)CC1C[C@@]1(C)C(C)C
InChIInChI=1S/C11H23N/c1-8(2)11(4)7-10(11)6-9(3)12-5/h8-10,12H,6-7H2,1-5H3/t9-,10?,11-/m0/s1
InChIKeyCEEWKQDLGDWLHI-JRUYECLLSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-1-[(2S)-2-methyl-2-propan-2-ylcyclopropyl]propan-2-amine?
The IUPAC name of (2S)-N-methyl-1-[(2S)-2-methyl-2-propan-2-ylcyclopropyl]propan-2-amine (CID 139542549) is (2S)-N-methyl-1-[(2S)-2-methyl-2-propan-2-ylcyclopropyl]propan-2-amine.
What is the SMILES notation for (2S)-N-methyl-1-[(2S)-2-methyl-2-propan-2-ylcyclopropyl]propan-2-amine?
The canonical SMILES for (2S)-N-methyl-1-[(2S)-2-methyl-2-propan-2-ylcyclopropyl]propan-2-amine is CN[C@@H](C)CC1C[C@@]1(C)C(C)C.
What is the InChIKey of (2S)-N-methyl-1-[(2S)-2-methyl-2-propan-2-ylcyclopropyl]propan-2-amine?
The InChIKey is CEEWKQDLGDWLHI-JRUYECLLSA-N. The full InChI is InChI=1S/C11H23N/c1-8(2)11(4)7-10(11)6-9(3)12-5/h8-10,12H,6-7H2,1-5H3/t9-,10?,11-/m0/s1.
What are the key properties of (2S)-N-methyl-1-[(2S)-2-methyl-2-propan-2-ylcyclopropyl]propan-2-amine?
(2S)-N-methyl-1-[(2S)-2-methyl-2-propan-2-ylcyclopropyl]propan-2-amine has a molecular weight of 169.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-1-[(2S)-2-methyl-2-propan-2-ylcyclopropyl]propan-2-amine is sourced from PubChem (CID 139542549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).