3-[(2-methylidenebutylamino)methyl]hexan-1-ol

C12H25NO — CID 106115164

IUPAC3-[(2-methylidenebutylamino)methyl]hexan-1-ol
SMILESC=C(CC)CNCC(CCC)CCO
InChIInChI=1S/C12H25NO/c1-4-6-12(7-8-14)10-13-9-11(3)5-2/h12-14H,3-10H2,1-2H3
InChIKeyUNRRWCVMDCNMBT-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.34
Rot. Bonds9

About 3-[(2-methylidenebutylamino)methyl]hexan-1-ol

3-[(2-methylidenebutylamino)methyl]hexan-1-ol (PubChem CID 106115164) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-[(2-methylidenebutylamino)methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[(2-methylidenebutylamino)methyl]hexan-1-ol
PubChem CID106115164
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-[(2-methylidenebutylamino)methyl]hexan-1-ol
SMILESC=C(CC)CNCC(CCC)CCO
InChIInChI=1S/C12H25NO/c1-4-6-12(7-8-14)10-13-9-11(3)5-2/h12-14H,3-10H2,1-2H3
InChIKeyUNRRWCVMDCNMBT-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
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'}

Analyze 3-[(2-methylidenebutylamino)methyl]hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(Ethylamino)-4-methylidenehexan-1-ol
CID 88529932
1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-3-ethenyl-5-methylhexan-1-ol
CID 88588470
1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-3-ethyl-5-methylhexan-1-ol
CID 88588672
2-Methyl-4-[(pent-4-enylamino)methyl]hexan-1-ol
CID 89126691
3-Piperidin-4-ylbut-3-en-1-ol
CID 117268286
[4-(2-Methylprop-2-enyl)piperidin-4-yl]methanol
CID 156796666
6-(Ethylamino)-3,3,5,5-tetramethyl-2-methylidenehexan-1-ol
CID 163982710
2-[(2-Methylprop-2-enylamino)methyl]cyclopentan-1-ol
CID 65838840
[2-[(2-Methylprop-2-enylamino)methyl]cyclohexyl]methanol
CID 65902815
[2-[(2-Methylprop-2-enylamino)methyl]cyclopentyl]methanol
CID 65925106
2-[(2-Methylidenebutylamino)methyl]cyclohexan-1-ol
CID 66044517
[1-(2-Methylidenebutylamino)cyclopentyl]methanol
CID 66045706

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylidenebutylamino)methyl]hexan-1-ol?
The IUPAC name of 3-[(2-methylidenebutylamino)methyl]hexan-1-ol (CID 106115164) is 3-[(2-methylidenebutylamino)methyl]hexan-1-ol.
What is the SMILES notation for 3-[(2-methylidenebutylamino)methyl]hexan-1-ol?
The canonical SMILES for 3-[(2-methylidenebutylamino)methyl]hexan-1-ol is C=C(CC)CNCC(CCC)CCO.
What is the InChIKey of 3-[(2-methylidenebutylamino)methyl]hexan-1-ol?
The InChIKey is UNRRWCVMDCNMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-6-12(7-8-14)10-13-9-11(3)5-2/h12-14H,3-10H2,1-2H3.
What are the key properties of 3-[(2-methylidenebutylamino)methyl]hexan-1-ol?
3-[(2-methylidenebutylamino)methyl]hexan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylidenebutylamino)methyl]hexan-1-ol is sourced from PubChem (CID 106115164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).