N-[(2R)-3-methylbutan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine

C13H27N — CID 160722354

IUPACN-[(2R)-3-methylbutan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine
SMILESCC(C)[C@@H](C)N(C1CC1)[C@@H](C)C(C)C
InChIInChI=1S/C13H27N/c1-9(2)11(5)14(13-7-8-13)12(6)10(3)4/h9-13H,7-8H2,1-6H3/t11-,12+
InChIKeyRLWAENDGEGPFPM-TXEJJXNPSA-N
MW197.37 g/mol
LogP3.54
Rot. Bonds5

About N-[(2R)-3-methylbutan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine

N-[(2R)-3-methylbutan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine (PubChem CID 160722354) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine
PubChem CID160722354
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-[(2R)-3-methylbutan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine
SMILESCC(C)[C@@H](C)N(C1CC1)[C@@H](C)C(C)C
InChIInChI=1S/C13H27N/c1-9(2)11(5)14(13-7-8-13)12(6)10(3)4/h9-13H,7-8H2,1-6H3/t11-,12+
InChIKeyRLWAENDGEGPFPM-TXEJJXNPSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,3-dimethylbutan-2-yl)-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine
CID 160722358
N-(3-methylbutan-2-yl)-N-propylcyclobutanamine
CID 166157968
N,6-dimethyl-N-(3-methylbutan-2-yl)piperidin-3-amine
CID 63157698
N-methyl-N-(3-methylbutan-2-yl)oxan-4-amine
CID 130651987
N-methyl-N-(3-methylbutan-2-yl)thian-4-amine
CID 131067370
N-methyl-N-propan-2-ylcyclopropanamine
CID 21024125
4-N-(3-methylbutan-2-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79112216
N,N-di(propan-2-yl)piperidin-4-amine
CID 54556274
2-[methyl(3-methylbutan-2-yl)amino]cyclopentan-1-ol
CID 60885120
9-(3,4-dimethylpentan-2-yl)-9-borabicyclo[3.3.1]nonane
CID 135048513
N-cyclopropyl-N-(2,3-dimethylbutan-2-yl)cyclobutanamine
CID 134573917
N-ethyl-N-(3-methylbutan-2-yl)piperidin-3-amine
CID 63644152

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine (CID 160722354) is N-[(2R)-3-methylbutan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine is CC(C)[C@@H](C)N(C1CC1)[C@@H](C)C(C)C.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine?
The InChIKey is RLWAENDGEGPFPM-TXEJJXNPSA-N. The full InChI is InChI=1S/C13H27N/c1-9(2)11(5)14(13-7-8-13)12(6)10(3)4/h9-13H,7-8H2,1-6H3/t11-,12+.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine?
N-[(2R)-3-methylbutan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine has a molecular weight of 197.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine is sourced from PubChem (CID 160722354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).