4-[(1-amino-2-cyclopropylpropan-2-yl)amino]butan-1-ol

C10H22N2O — CID 106841375

IUPAC4-[(1-amino-2-cyclopropylpropan-2-yl)amino]butan-1-ol
SMILESCC(CN)(NCCCCO)C1CC1
InChIInChI=1S/C10H22N2O/c1-10(8-11,9-4-5-9)12-6-2-3-7-13/h9,12-13H,2-8,11H2,1H3
InChIKeyRQAUBASNDSDXIL-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.48
Rot. Bonds7

About 4-[(1-amino-2-cyclopropylpropan-2-yl)amino]butan-1-ol

4-[(1-amino-2-cyclopropylpropan-2-yl)amino]butan-1-ol (PubChem CID 106841375) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-[(1-amino-2-cyclopropylpropan-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(1-amino-2-cyclopropylpropan-2-yl)amino]butan-1-ol
PubChem CID106841375
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name4-[(1-amino-2-cyclopropylpropan-2-yl)amino]butan-1-ol
SMILESCC(CN)(NCCCCO)C1CC1
InChIInChI=1S/C10H22N2O/c1-10(8-11,9-4-5-9)12-6-2-3-7-13/h9,12-13H,2-8,11H2,1H3
InChIKeyRQAUBASNDSDXIL-UHFFFAOYSA-N
XLogP0.48
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1-amino-2-cyclopropylbutan-2-yl)amino]butan-1-ol
CID 106841433
4-[(1-amino-2-cyclopropyl-3-methoxypropan-2-yl)amino]butan-1-ol
CID 106841438
2-cyclopropyl-2-N-(3,3-dimethylpentyl)propane-1,2-diamine;hydrochloride
CID 119929054
5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol
CID 107302888
3-[[2-amino-1,1-di(cyclobutyl)ethyl]amino]propan-1-ol
CID 174712121
12-(tert-butylamino)dodecan-1-ol
CID 159274393
2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-N-cyclopropylacetamide
CID 119929037
2-cyclopropyl-2-N-(2-methoxypropyl)propane-1,2-diamine
CID 102697155
N-(1-amino-2-cyclopropylpropan-2-yl)acetamide
CID 81486890
6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol
CID 107849266
2-cyclopropyl-2-N-propan-2-ylpropane-1,2-diamine
CID 62069964
tert-butyl N-[2-(3-aminopropylamino)-2-cyclopropylpropyl]carbamate
CID 107252066

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-2-cyclopropylpropan-2-yl)amino]butan-1-ol?
The IUPAC name of 4-[(1-amino-2-cyclopropylpropan-2-yl)amino]butan-1-ol (CID 106841375) is 4-[(1-amino-2-cyclopropylpropan-2-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[(1-amino-2-cyclopropylpropan-2-yl)amino]butan-1-ol?
The canonical SMILES for 4-[(1-amino-2-cyclopropylpropan-2-yl)amino]butan-1-ol is CC(CN)(NCCCCO)C1CC1.
What is the InChIKey of 4-[(1-amino-2-cyclopropylpropan-2-yl)amino]butan-1-ol?
The InChIKey is RQAUBASNDSDXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-10(8-11,9-4-5-9)12-6-2-3-7-13/h9,12-13H,2-8,11H2,1H3.
What are the key properties of 4-[(1-amino-2-cyclopropylpropan-2-yl)amino]butan-1-ol?
4-[(1-amino-2-cyclopropylpropan-2-yl)amino]butan-1-ol has a molecular weight of 186.30 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-2-cyclopropylpropan-2-yl)amino]butan-1-ol is sourced from PubChem (CID 106841375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).