(2S)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]butan-1-ol

C12H26N2O2 — CID 25008275

IUPAC(2S)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]butan-1-ol
SMILESCC[C@@H](CO)NCCNC1(CO)CCCC1
InChIInChI=1S/C12H26N2O2/c1-2-11(9-15)13-7-8-14-12(10-16)5-3-4-6-12/h11,13-16H,2-10H2,1H3/t11-/m0/s1
InChIKeyUVZFZHVVLFTZCT-NSHDSACASA-N
MW230.35 g/mol
LogP0.24
Rot. Bonds8

About (2S)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]butan-1-ol

(2S)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]butan-1-ol (PubChem CID 25008275) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (2S)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]butan-1-ol
PubChem CID25008275
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name(2S)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]butan-1-ol
SMILESCC[C@@H](CO)NCCNC1(CO)CCCC1
InChIInChI=1S/C12H26N2O2/c1-2-11(9-15)13-7-8-14-12(10-16)5-3-4-6-12/h11,13-16H,2-10H2,1H3/t11-/m0/s1
InChIKeyUVZFZHVVLFTZCT-NSHDSACASA-N
XLogP0.24
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]butan-1-ol?
The IUPAC name of (2S)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]butan-1-ol (CID 25008275) is (2S)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]butan-1-ol is CC[C@@H](CO)NCCNC1(CO)CCCC1.
What is the InChIKey of (2S)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]butan-1-ol?
The InChIKey is UVZFZHVVLFTZCT-NSHDSACASA-N. The full InChI is InChI=1S/C12H26N2O2/c1-2-11(9-15)13-7-8-14-12(10-16)5-3-4-6-12/h11,13-16H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]butan-1-ol?
(2S)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]butan-1-ol has a molecular weight of 230.35 g/mol, XLogP of 0.24, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]butan-1-ol is sourced from PubChem (CID 25008275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).