4-[(1-amino-2-cyclopropyl-3-methoxypropan-2-yl)amino]butan-1-ol

C11H24N2O2 — CID 106841438

IUPAC4-[(1-amino-2-cyclopropyl-3-methoxypropan-2-yl)amino]butan-1-ol
SMILESCOCC(CN)(NCCCCO)C1CC1
InChIInChI=1S/C11H24N2O2/c1-15-9-11(8-12,10-4-5-10)13-6-2-3-7-14/h10,13-14H,2-9,12H2,1H3
InChIKeyDAUNHWFHWYROIL-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.10
Rot. Bonds9

About 4-[(1-amino-2-cyclopropyl-3-methoxypropan-2-yl)amino]butan-1-ol

4-[(1-amino-2-cyclopropyl-3-methoxypropan-2-yl)amino]butan-1-ol (PubChem CID 106841438) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-[(1-amino-2-cyclopropyl-3-methoxypropan-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(1-amino-2-cyclopropyl-3-methoxypropan-2-yl)amino]butan-1-ol
PubChem CID106841438
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name4-[(1-amino-2-cyclopropyl-3-methoxypropan-2-yl)amino]butan-1-ol
SMILESCOCC(CN)(NCCCCO)C1CC1
InChIInChI=1S/C11H24N2O2/c1-15-9-11(8-12,10-4-5-10)13-6-2-3-7-14/h10,13-14H,2-9,12H2,1H3
InChIKeyDAUNHWFHWYROIL-UHFFFAOYSA-N
XLogP0.10
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-cyclopropylpropan-2-yl)amino]butan-1-ol
CID 106841375
5-[[1-amino-2-(methoxymethyl)butan-2-yl]amino]pentan-1-ol
CID 107317060
2-cyclopropyl-2-N-(2-methoxyethyl)butane-1,2-diamine
CID 64919093
2-cyclopropyl-3-methoxy-2-(propan-2-ylamino)propan-1-ol
CID 64804918
1-amino-2-cyclopropyl-3-methoxypropan-2-ol
CID 64813573
3-[[2-amino-1,1-di(cyclobutyl)ethyl]amino]propan-1-ol
CID 174712121
6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol
CID 107849266
4-[[1-(aminomethyl)-4-methoxycyclohexyl]amino]butan-1-ol
CID 106841176
5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol
CID 107302888
12-(tert-butylamino)dodecan-1-ol
CID 159274393
2-cyclopropyl-3-(3-methoxycyclohexyl)oxy-2-(propylamino)propan-1-ol
CID 64810980

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-2-cyclopropyl-3-methoxypropan-2-yl)amino]butan-1-ol?
The IUPAC name of 4-[(1-amino-2-cyclopropyl-3-methoxypropan-2-yl)amino]butan-1-ol (CID 106841438) is 4-[(1-amino-2-cyclopropyl-3-methoxypropan-2-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[(1-amino-2-cyclopropyl-3-methoxypropan-2-yl)amino]butan-1-ol?
The canonical SMILES for 4-[(1-amino-2-cyclopropyl-3-methoxypropan-2-yl)amino]butan-1-ol is COCC(CN)(NCCCCO)C1CC1.
What is the InChIKey of 4-[(1-amino-2-cyclopropyl-3-methoxypropan-2-yl)amino]butan-1-ol?
The InChIKey is DAUNHWFHWYROIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-15-9-11(8-12,10-4-5-10)13-6-2-3-7-14/h10,13-14H,2-9,12H2,1H3.
What are the key properties of 4-[(1-amino-2-cyclopropyl-3-methoxypropan-2-yl)amino]butan-1-ol?
4-[(1-amino-2-cyclopropyl-3-methoxypropan-2-yl)amino]butan-1-ol has a molecular weight of 216.32 g/mol, XLogP of 0.10, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-2-cyclopropyl-3-methoxypropan-2-yl)amino]butan-1-ol is sourced from PubChem (CID 106841438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).