(1R)-1-amino-4-[3-[(Z)-2-(methylamino)prop-1-enyl]cyclobutyl]butan-1-ol

C12H24N2O — CID 163413638

IUPAC(1R)-1-amino-4-[3-[(Z)-2-(methylamino)prop-1-enyl]cyclobutyl]butan-1-ol
SMILESCN/C(C)=C\C1CC(CCC[C@H](N)O)C1
InChIInChI=1S/C12H24N2O/c1-9(14-2)6-11-7-10(8-11)4-3-5-12(13)15/h6,10-12,14-15H,3-5,7-8,13H2,1-2H3/b9-6-/t10?,11?,12-/m1/s1
InChIKeyACORWHMJPDJPRJ-GIQFBGBYSA-N
MW212.34 g/mol
LogP1.58
Rot. Bonds6

About (1R)-1-amino-4-[3-[(Z)-2-(methylamino)prop-1-enyl]cyclobutyl]butan-1-ol

(1R)-1-amino-4-[3-[(Z)-2-(methylamino)prop-1-enyl]cyclobutyl]butan-1-ol (PubChem CID 163413638) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (1R)-1-amino-4-[3-[(Z)-2-(methylamino)prop-1-enyl]cyclobutyl]butan-1-ol.

Molecular Properties

Compound Name(1R)-1-amino-4-[3-[(Z)-2-(methylamino)prop-1-enyl]cyclobutyl]butan-1-ol
PubChem CID163413638
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(1R)-1-amino-4-[3-[(Z)-2-(methylamino)prop-1-enyl]cyclobutyl]butan-1-ol
SMILESCN/C(C)=C\C1CC(CCC[C@H](N)O)C1
InChIInChI=1S/C12H24N2O/c1-9(14-2)6-11-7-10(8-11)4-3-5-12(13)15/h6,10-12,14-15H,3-5,7-8,13H2,1-2H3/b9-6-/t10?,11?,12-/m1/s1
InChIKeyACORWHMJPDJPRJ-GIQFBGBYSA-N
XLogP1.58
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropylpentan-2-ol
CID 67118909
[(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl] carbamate
CID 175536738
1,3-diaminopropan-1-ol
CID 10419133
4-cyclobutylbutane-1,1-diamine
CID 90300630
1-amino-4-methoxybutan-1-ol
CID 57141832
5-(1-methylpyrrolidin-3-yl)pentan-2-amine
CID 116925099
3-(4-methylpentyl)cyclohexan-1-amine
CID 83169215
methyl 2-[4-(3-amino-3-hydroxypropyl)cyclohexyl]acetate
CID 156555306
3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 14478229
(4-butylcyclohexyl)-cyclopropylmethanamine
CID 104994185
(3R)-6-amino-6-hydroxy-3-(methylamino)hexan-2-one
CID 167006096
amino-[3-(methylamino)azetidin-1-yl]methanol
CID 171532513

Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-4-[3-[(Z)-2-(methylamino)prop-1-enyl]cyclobutyl]butan-1-ol?
The IUPAC name of (1R)-1-amino-4-[3-[(Z)-2-(methylamino)prop-1-enyl]cyclobutyl]butan-1-ol (CID 163413638) is (1R)-1-amino-4-[3-[(Z)-2-(methylamino)prop-1-enyl]cyclobutyl]butan-1-ol.
What is the SMILES notation for (1R)-1-amino-4-[3-[(Z)-2-(methylamino)prop-1-enyl]cyclobutyl]butan-1-ol?
The canonical SMILES for (1R)-1-amino-4-[3-[(Z)-2-(methylamino)prop-1-enyl]cyclobutyl]butan-1-ol is CN/C(C)=C\C1CC(CCC[C@H](N)O)C1.
What is the InChIKey of (1R)-1-amino-4-[3-[(Z)-2-(methylamino)prop-1-enyl]cyclobutyl]butan-1-ol?
The InChIKey is ACORWHMJPDJPRJ-GIQFBGBYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(14-2)6-11-7-10(8-11)4-3-5-12(13)15/h6,10-12,14-15H,3-5,7-8,13H2,1-2H3/b9-6-/t10?,11?,12-/m1/s1.
What are the key properties of (1R)-1-amino-4-[3-[(Z)-2-(methylamino)prop-1-enyl]cyclobutyl]butan-1-ol?
(1R)-1-amino-4-[3-[(Z)-2-(methylamino)prop-1-enyl]cyclobutyl]butan-1-ol has a molecular weight of 212.34 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-4-[3-[(Z)-2-(methylamino)prop-1-enyl]cyclobutyl]butan-1-ol is sourced from PubChem (CID 163413638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).