(2R)-4-(1-methylcyclopropyl)butan-2-amine

C8H17N — CID 147194388

IUPAC(2R)-4-(1-methylcyclopropyl)butan-2-amine
SMILESC[C@@H](N)CCC1(C)CC1
InChIInChI=1S/C8H17N/c1-7(9)3-4-8(2)5-6-8/h7H,3-6,9H2,1-2H3/t7-/m1/s1
InChIKeyCCBKEXSRYMWBOG-SSDOTTSWSA-N
MW127.23 g/mol
LogP1.91
Rot. Bonds3

About (2R)-4-(1-methylcyclopropyl)butan-2-amine

(2R)-4-(1-methylcyclopropyl)butan-2-amine (PubChem CID 147194388) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (2R)-4-(1-methylcyclopropyl)butan-2-amine.

Molecular Properties

Compound Name(2R)-4-(1-methylcyclopropyl)butan-2-amine
PubChem CID147194388
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(2R)-4-(1-methylcyclopropyl)butan-2-amine
SMILESC[C@@H](N)CCC1(C)CC1
InChIInChI=1S/C8H17N/c1-7(9)3-4-8(2)5-6-8/h7H,3-6,9H2,1-2H3/t7-/m1/s1
InChIKeyCCBKEXSRYMWBOG-SSDOTTSWSA-N
XLogP1.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(1-methylcyclopropyl)butan-2-amine?
The IUPAC name of (2R)-4-(1-methylcyclopropyl)butan-2-amine (CID 147194388) is (2R)-4-(1-methylcyclopropyl)butan-2-amine.
What is the SMILES notation for (2R)-4-(1-methylcyclopropyl)butan-2-amine?
The canonical SMILES for (2R)-4-(1-methylcyclopropyl)butan-2-amine is C[C@@H](N)CCC1(C)CC1.
What is the InChIKey of (2R)-4-(1-methylcyclopropyl)butan-2-amine?
The InChIKey is CCBKEXSRYMWBOG-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17N/c1-7(9)3-4-8(2)5-6-8/h7H,3-6,9H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-4-(1-methylcyclopropyl)butan-2-amine?
(2R)-4-(1-methylcyclopropyl)butan-2-amine has a molecular weight of 127.23 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(1-methylcyclopropyl)butan-2-amine is sourced from PubChem (CID 147194388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).