1-[cyclopropyl-[3-(methylamino)propyl]amino]propan-2-ol

C10H22N2O — CID 149151308

IUPAC1-[cyclopropyl-[3-(methylamino)propyl]amino]propan-2-ol
SMILESCNCCCN(CC(C)O)C1CC1
InChIInChI=1S/C10H22N2O/c1-9(13)8-12(10-4-5-10)7-3-6-11-2/h9-11,13H,3-8H2,1-2H3
InChIKeyMMKYGSANIUKCRH-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.44
Rot. Bonds7

About 1-[cyclopropyl-[3-(methylamino)propyl]amino]propan-2-ol

1-[cyclopropyl-[3-(methylamino)propyl]amino]propan-2-ol (PubChem CID 149151308) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-[cyclopropyl-[3-(methylamino)propyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[cyclopropyl-[3-(methylamino)propyl]amino]propan-2-ol
PubChem CID149151308
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-[cyclopropyl-[3-(methylamino)propyl]amino]propan-2-ol
SMILESCNCCCN(CC(C)O)C1CC1
InChIInChI=1S/C10H22N2O/c1-9(13)8-12(10-4-5-10)7-3-6-11-2/h9-11,13H,3-8H2,1-2H3
InChIKeyMMKYGSANIUKCRH-UHFFFAOYSA-N
XLogP0.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Amino-3-(diethylamino)propan-2-ol
CID 97749
1,3-Bis((1-methylethyl)amino)propan-2-ol
CID 273840
1,3-Bis[(1-Methylethyl)aMino]-2-propanol Dihydrochloride
CID 45262608
[3-(Dimethylamino)-2-hydroxypropyl](methyl)amine
CID 12700841
1-[(3-Aminopropyl)-(2-hydroxypropyl)-amino]propan-2-OL
CID 22266927
(2R)-1-(cyclopropylamino)propan-2-ol
CID 39234967
1-(Cyclopropylamino)propan-2-ol
CID 57482591
1,3-Bis(tert-butylamino)propan-2-ol
CID 4408839
2-[[2-Hydroxy-3-[1-(hydroxymethyl)propylamino]propyl]amino]butan-1-ol
CID 469941
1-(Butan-2-ylamino)propan-2-ol
CID 276931
2-Hydroxy-n,n'-diisopropylpropane-1,3-diaminium dichloride
CID 139079185
1-(Tert-butylamino)-3-(methylamino)propan-2-ol
CID 2838509

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-[3-(methylamino)propyl]amino]propan-2-ol?
The IUPAC name of 1-[cyclopropyl-[3-(methylamino)propyl]amino]propan-2-ol (CID 149151308) is 1-[cyclopropyl-[3-(methylamino)propyl]amino]propan-2-ol.
What is the SMILES notation for 1-[cyclopropyl-[3-(methylamino)propyl]amino]propan-2-ol?
The canonical SMILES for 1-[cyclopropyl-[3-(methylamino)propyl]amino]propan-2-ol is CNCCCN(CC(C)O)C1CC1.
What is the InChIKey of 1-[cyclopropyl-[3-(methylamino)propyl]amino]propan-2-ol?
The InChIKey is MMKYGSANIUKCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(13)8-12(10-4-5-10)7-3-6-11-2/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 1-[cyclopropyl-[3-(methylamino)propyl]amino]propan-2-ol?
1-[cyclopropyl-[3-(methylamino)propyl]amino]propan-2-ol has a molecular weight of 186.30 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-[3-(methylamino)propyl]amino]propan-2-ol is sourced from PubChem (CID 149151308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).