2-[1-[(2-methylidenebutylamino)methyl]cyclopropyl]ethanol

C11H21NO — CID 114756336

IUPAC2-[1-[(2-methylidenebutylamino)methyl]cyclopropyl]ethanol
SMILESC=C(CC)CNCC1(CCO)CC1
InChIInChI=1S/C11H21NO/c1-3-10(2)8-12-9-11(4-5-11)6-7-13/h12-13H,2-9H2,1H3
InChIKeyGRXCKPSJLOFHBO-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.70
Rot. Bonds7

About 2-[1-[(2-methylidenebutylamino)methyl]cyclopropyl]ethanol

2-[1-[(2-methylidenebutylamino)methyl]cyclopropyl]ethanol (PubChem CID 114756336) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-[1-[(2-methylidenebutylamino)methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[(2-methylidenebutylamino)methyl]cyclopropyl]ethanol
PubChem CID114756336
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-[1-[(2-methylidenebutylamino)methyl]cyclopropyl]ethanol
SMILESC=C(CC)CNCC1(CCO)CC1
InChIInChI=1S/C11H21NO/c1-3-10(2)8-12-9-11(4-5-11)6-7-13/h12-13H,2-9H2,1H3
InChIKeyGRXCKPSJLOFHBO-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]prop-2-enoate
CID 103269315
2-[1-(propylaminomethyl)cyclopropyl]ethanol
CID 114756075
N,N-dimethyl-1-[(2-methylidenebutylamino)methyl]cyclobutan-1-amine
CID 105416854
4-[(2-methylidenebutylamino)methyl]oxan-4-ol
CID 81131211
2-[1-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclopropyl]ethanol
CID 114756460
2-[1-[(2,2-dimethoxyethylamino)methyl]cyclopropyl]ethanol
CID 114756082
2-[1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclopropyl]ethanol
CID 103179565
1-(dimethylamino)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol
CID 114756465
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]ethanesulfonamide
CID 114749822
2-[1-[(butan-2-ylamino)methyl]cyclopropyl]ethanol
CID 114750802
2-[1-[[(2,4,5-trifluorophenyl)methylamino]methyl]cyclopropyl]ethanol
CID 104954541
4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]butanoic acid
CID 114756436

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylidenebutylamino)methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[(2-methylidenebutylamino)methyl]cyclopropyl]ethanol (CID 114756336) is 2-[1-[(2-methylidenebutylamino)methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[(2-methylidenebutylamino)methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[(2-methylidenebutylamino)methyl]cyclopropyl]ethanol is C=C(CC)CNCC1(CCO)CC1.
What is the InChIKey of 2-[1-[(2-methylidenebutylamino)methyl]cyclopropyl]ethanol?
The InChIKey is GRXCKPSJLOFHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-10(2)8-12-9-11(4-5-11)6-7-13/h12-13H,2-9H2,1H3.
What are the key properties of 2-[1-[(2-methylidenebutylamino)methyl]cyclopropyl]ethanol?
2-[1-[(2-methylidenebutylamino)methyl]cyclopropyl]ethanol has a molecular weight of 183.29 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylidenebutylamino)methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114756336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).