3-[cyclobutyl-[2-[(cyclopropylamino)methyl]prop-2-enyl]amino]propan-1-ol

C14H26N2O — CID 103071461

IUPAC3-[cyclobutyl-[2-[(cyclopropylamino)methyl]prop-2-enyl]amino]propan-1-ol
SMILESC=C(CNC1CC1)CN(CCCO)C1CCC1
InChIInChI=1S/C14H26N2O/c1-12(10-15-13-6-7-13)11-16(8-3-9-17)14-4-2-5-14/h13-15,17H,1-11H2
InChIKeyVKWHPZDICYOXHI-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.53
Rot. Bonds9

About 3-[cyclobutyl-[2-[(cyclopropylamino)methyl]prop-2-enyl]amino]propan-1-ol

3-[cyclobutyl-[2-[(cyclopropylamino)methyl]prop-2-enyl]amino]propan-1-ol (PubChem CID 103071461) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-[cyclobutyl-[2-[(cyclopropylamino)methyl]prop-2-enyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-[2-[(cyclopropylamino)methyl]prop-2-enyl]amino]propan-1-ol
PubChem CID103071461
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3-[cyclobutyl-[2-[(cyclopropylamino)methyl]prop-2-enyl]amino]propan-1-ol
SMILESC=C(CNC1CC1)CN(CCCO)C1CCC1
InChIInChI=1S/C14H26N2O/c1-12(10-15-13-6-7-13)11-16(8-3-9-17)14-4-2-5-14/h13-15,17H,1-11H2
InChIKeyVKWHPZDICYOXHI-UHFFFAOYSA-N
XLogP1.53
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclobutyl-[2-(methylaminomethyl)prop-2-enyl]amino]propan-1-ol
CID 103071457
N-cyclopentyl-N'-cyclopropyl-N-ethyl-2-methylidenepropane-1,3-diamine
CID 103069362
3-[cyclopentyl-[3-(cyclopentylamino)propyl]amino]propan-1-ol
CID 149152663
2-[cyclopentyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol
CID 103070001
4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477
3-[3-[cyclohexyl(3-hydroxypropyl)amino]propylamino]propan-1-ol
CID 149151262
N-cyclopropyl-2-methylidene-N',N'-dipropylpropane-1,3-diamine
CID 103068881
3-[cyclobutyl-[3-(ethylamino)propyl]amino]propan-1-ol
CID 102869544
N-butyl-N-cyclopropyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103069805
3-[ethyl-[4-(propylamino)cyclohexyl]amino]propan-1-ol
CID 114763598
3-[cyclobutyl(2-fluoroethyl)amino]propan-1-ol
CID 102848338
3-[cyclobutyl(3-hydroxypropyl)amino]propanal
CID 102864313

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-[2-[(cyclopropylamino)methyl]prop-2-enyl]amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-[2-[(cyclopropylamino)methyl]prop-2-enyl]amino]propan-1-ol (CID 103071461) is 3-[cyclobutyl-[2-[(cyclopropylamino)methyl]prop-2-enyl]amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-[2-[(cyclopropylamino)methyl]prop-2-enyl]amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-[2-[(cyclopropylamino)methyl]prop-2-enyl]amino]propan-1-ol is C=C(CNC1CC1)CN(CCCO)C1CCC1.
What is the InChIKey of 3-[cyclobutyl-[2-[(cyclopropylamino)methyl]prop-2-enyl]amino]propan-1-ol?
The InChIKey is VKWHPZDICYOXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12(10-15-13-6-7-13)11-16(8-3-9-17)14-4-2-5-14/h13-15,17H,1-11H2.
What are the key properties of 3-[cyclobutyl-[2-[(cyclopropylamino)methyl]prop-2-enyl]amino]propan-1-ol?
3-[cyclobutyl-[2-[(cyclopropylamino)methyl]prop-2-enyl]amino]propan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 1.53, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-[2-[(cyclopropylamino)methyl]prop-2-enyl]amino]propan-1-ol is sourced from PubChem (CID 103071461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).