(2S)-2-(ethylamino)-4-(1-propan-2-ylcyclobutyl)butan-1-ol

C13H27NO — CID 70834236

IUPAC(2S)-2-(ethylamino)-4-(1-propan-2-ylcyclobutyl)butan-1-ol
SMILESCCN[C@H](CO)CCC1(C(C)C)CCC1
InChIInChI=1S/C13H27NO/c1-4-14-12(10-15)6-9-13(11(2)3)7-5-8-13/h11-12,14-15H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyKYPJIQIGHIMIOE-LBPRGKRZSA-N
MW213.36 g/mol
LogP2.56
Rot. Bonds7

About (2S)-2-(ethylamino)-4-(1-propan-2-ylcyclobutyl)butan-1-ol

(2S)-2-(ethylamino)-4-(1-propan-2-ylcyclobutyl)butan-1-ol (PubChem CID 70834236) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (2S)-2-(ethylamino)-4-(1-propan-2-ylcyclobutyl)butan-1-ol.

Molecular Properties

Compound Name(2S)-2-(ethylamino)-4-(1-propan-2-ylcyclobutyl)butan-1-ol
PubChem CID70834236
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(2S)-2-(ethylamino)-4-(1-propan-2-ylcyclobutyl)butan-1-ol
SMILESCCN[C@H](CO)CCC1(C(C)C)CCC1
InChIInChI=1S/C13H27NO/c1-4-14-12(10-15)6-9-13(11(2)3)7-5-8-13/h11-12,14-15H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyKYPJIQIGHIMIOE-LBPRGKRZSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethylamino)-4-(1-propan-2-ylcyclobutyl)butan-1-ol?
The IUPAC name of (2S)-2-(ethylamino)-4-(1-propan-2-ylcyclobutyl)butan-1-ol (CID 70834236) is (2S)-2-(ethylamino)-4-(1-propan-2-ylcyclobutyl)butan-1-ol.
What is the SMILES notation for (2S)-2-(ethylamino)-4-(1-propan-2-ylcyclobutyl)butan-1-ol?
The canonical SMILES for (2S)-2-(ethylamino)-4-(1-propan-2-ylcyclobutyl)butan-1-ol is CCN[C@H](CO)CCC1(C(C)C)CCC1.
What is the InChIKey of (2S)-2-(ethylamino)-4-(1-propan-2-ylcyclobutyl)butan-1-ol?
The InChIKey is KYPJIQIGHIMIOE-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-14-12(10-15)6-9-13(11(2)3)7-5-8-13/h11-12,14-15H,4-10H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-2-(ethylamino)-4-(1-propan-2-ylcyclobutyl)butan-1-ol?
(2S)-2-(ethylamino)-4-(1-propan-2-ylcyclobutyl)butan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethylamino)-4-(1-propan-2-ylcyclobutyl)butan-1-ol is sourced from PubChem (CID 70834236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).