4,4-dimethyl-3-(2-methylidenebutylamino)pentan-1-ol

C12H25NO — CID 104628260

IUPAC4,4-dimethyl-3-(2-methylidenebutylamino)pentan-1-ol
SMILESC=C(CC)CNC(CCO)C(C)(C)C
InChIInChI=1S/C12H25NO/c1-6-10(2)9-13-11(7-8-14)12(3,4)5/h11,13-14H,2,6-9H2,1,3-5H3
InChIKeyRPLPTITYTXDLSA-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.34
Rot. Bonds6

About 4,4-dimethyl-3-(2-methylidenebutylamino)pentan-1-ol

4,4-dimethyl-3-(2-methylidenebutylamino)pentan-1-ol (PubChem CID 104628260) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4,4-dimethyl-3-(2-methylidenebutylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-(2-methylidenebutylamino)pentan-1-ol
PubChem CID104628260
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4,4-dimethyl-3-(2-methylidenebutylamino)pentan-1-ol
SMILESC=C(CC)CNC(CCO)C(C)(C)C
InChIInChI=1S/C12H25NO/c1-6-10(2)9-13-11(7-8-14)12(3,4)5/h11,13-14H,2,6-9H2,1,3-5H3
InChIKeyRPLPTITYTXDLSA-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.34
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

(3-tert-butyl-2,5-dihydro-1H-pyrrol-2-yl)methanol
CID 89159148
3,3,4-Trimethyl-2-(methylamino)pent-4-en-1-ol
CID 90874893
4-Methyl-3-(3-methylbut-3-enylamino)pentan-1-ol
CID 104926876
3-(3-Methylbut-3-en-2-ylamino)propan-1-ol
CID 167159710
(4R)-3,3-dimethyl-4-(2-methylidenepentylamino)hex-1-en-2-ol
CID 170144299
(1-{[(1,5-Dimethyl-4-hexen-1-yl)amino]methyl}cyclobutyl)methanol
CID 56859992
4-Methyl-2-(2-methylprop-2-enylamino)pentan-1-ol
CID 62331701
4-Methyl-2-(2-methylidenebutylamino)pentan-1-ol
CID 66044982
4-(2-Methylprop-2-enylamino)pentan-1-ol
CID 80294183
4-(2-Methylidenebutylamino)pentan-1-ol
CID 80294582
3-(2-Methylidenebutylamino)butan-1-ol
CID 83176345
2,2-Dimethyl-3-(3-methylbut-2-enylamino)cyclobutan-1-ol
CID 103522628

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(2-methylidenebutylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-(2-methylidenebutylamino)pentan-1-ol (CID 104628260) is 4,4-dimethyl-3-(2-methylidenebutylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-(2-methylidenebutylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-(2-methylidenebutylamino)pentan-1-ol is C=C(CC)CNC(CCO)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-3-(2-methylidenebutylamino)pentan-1-ol?
The InChIKey is RPLPTITYTXDLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-10(2)9-13-11(7-8-14)12(3,4)5/h11,13-14H,2,6-9H2,1,3-5H3.
What are the key properties of 4,4-dimethyl-3-(2-methylidenebutylamino)pentan-1-ol?
4,4-dimethyl-3-(2-methylidenebutylamino)pentan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(2-methylidenebutylamino)pentan-1-ol is sourced from PubChem (CID 104628260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).