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

C11H24N2O — CID 106841433

IUPAC4-[(1-amino-2-cyclopropylbutan-2-yl)amino]butan-1-ol
SMILESCCC(CN)(NCCCCO)C1CC1
InChIInChI=1S/C11H24N2O/c1-2-11(9-12,10-5-6-10)13-7-3-4-8-14/h10,13-14H,2-9,12H2,1H3
InChIKeyRTHKBLDGRWBFKB-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.87
Rot. Bonds8

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

4-[(1-amino-2-cyclopropylbutan-2-yl)amino]butan-1-ol (PubChem CID 106841433) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-[(1-amino-2-cyclopropylbutan-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(1-amino-2-cyclopropylbutan-2-yl)amino]butan-1-ol
PubChem CID106841433
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-[(1-amino-2-cyclopropylbutan-2-yl)amino]butan-1-ol
SMILESCCC(CN)(NCCCCO)C1CC1
InChIInChI=1S/C11H24N2O/c1-2-11(9-12,10-5-6-10)13-7-3-4-8-14/h10,13-14H,2-9,12H2,1H3
InChIKeyRTHKBLDGRWBFKB-UHFFFAOYSA-N
XLogP0.87
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.87
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-cyclopropyl-3-methoxypropan-2-yl)amino]butan-1-ol
CID 106841438
4-[(1-amino-2-cyclopropylpropan-2-yl)amino]butan-1-ol
CID 106841375
2-cyclopropyl-2-N-(2-methoxyethyl)butane-1,2-diamine
CID 64919093
2-cyclopropyl-2-N-pent-3-ynylbutane-1,2-diamine
CID 116643438
3-[[2-amino-1,1-di(cyclobutyl)ethyl]amino]propan-1-ol
CID 174712121
5-[[1-amino-2-(methoxymethyl)butan-2-yl]amino]pentan-1-ol
CID 107317060
2-ethyl-2-(4-hydroxybutylamino)propane-1,3-diol
CID 107865357
3-(1-amino-2-cyclopropylbutan-2-yl)oxypropan-1-ol
CID 103377473
5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol
CID 107302888
12-(tert-butylamino)dodecan-1-ol
CID 159274393
6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol
CID 107849266
2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propan-1-ol
CID 64802127

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-2-cyclopropylbutan-2-yl)amino]butan-1-ol?
The IUPAC name of 4-[(1-amino-2-cyclopropylbutan-2-yl)amino]butan-1-ol (CID 106841433) is 4-[(1-amino-2-cyclopropylbutan-2-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[(1-amino-2-cyclopropylbutan-2-yl)amino]butan-1-ol?
The canonical SMILES for 4-[(1-amino-2-cyclopropylbutan-2-yl)amino]butan-1-ol is CCC(CN)(NCCCCO)C1CC1.
What is the InChIKey of 4-[(1-amino-2-cyclopropylbutan-2-yl)amino]butan-1-ol?
The InChIKey is RTHKBLDGRWBFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-2-11(9-12,10-5-6-10)13-7-3-4-8-14/h10,13-14H,2-9,12H2,1H3.
What are the key properties of 4-[(1-amino-2-cyclopropylbutan-2-yl)amino]butan-1-ol?
4-[(1-amino-2-cyclopropylbutan-2-yl)amino]butan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.87, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-2-cyclopropylbutan-2-yl)amino]butan-1-ol is sourced from PubChem (CID 106841433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).