4-methyl-3-(2-methylprop-2-enylamino)pentan-1-ol

C10H21NO — CID 104696137

IUPAC4-methyl-3-(2-methylprop-2-enylamino)pentan-1-ol
SMILESC=C(C)CNC(CCO)C(C)C
InChIInChI=1S/C10H21NO/c1-8(2)7-11-10(5-6-12)9(3)4/h9-12H,1,5-7H2,2-4H3
InChIKeyZIDMWIRDOIJSOD-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.56
Rot. Bonds6

About 4-methyl-3-(2-methylprop-2-enylamino)pentan-1-ol

4-methyl-3-(2-methylprop-2-enylamino)pentan-1-ol (PubChem CID 104696137) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-methyl-3-(2-methylprop-2-enylamino)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-(2-methylprop-2-enylamino)pentan-1-ol
PubChem CID104696137
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-methyl-3-(2-methylprop-2-enylamino)pentan-1-ol
SMILESC=C(C)CNC(CCO)C(C)C
InChIInChI=1S/C10H21NO/c1-8(2)7-11-10(5-6-12)9(3)4/h9-12H,1,5-7H2,2-4H3
InChIKeyZIDMWIRDOIJSOD-UHFFFAOYSA-N
XLogP1.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.56
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-(Ethylamino)-4-methylpentan-1-ol
CID 64814074
4-Methyl-3-(propan-2-ylamino)pentan-1-ol
CID 86063163
(3R)-3-(tert-butylamino)-4-methylpentan-1-ol
CID 88093701
3-(Tert-butylamino)-4-methylpentan-1-ol
CID 88093702
4-Methyl-3-(3-methylbut-3-enylamino)pentan-1-ol
CID 104926876
3-(2,2-Dimethylpropylamino)-4-methylpentan-1-ol
CID 115656012
Ethane;4-methyl-3-(methylamino)pentan-1-ol
CID 142847915
Ethane;3-(ethylamino)-4-methylpentan-1-ol
CID 171660541
Ethane;4-methyl-3-(propan-2-ylamino)pentan-1-ol
CID 171660809
4-Methyl-2-(prop-2-enylamino)pentan-1-ol
CID 62141821
4-Methyl-2-(2-methylprop-2-enylamino)pentan-1-ol
CID 62331701
4-Methyl-3-(propylamino)pentan-1-ol
CID 64814075

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methylprop-2-enylamino)pentan-1-ol?
The IUPAC name of 4-methyl-3-(2-methylprop-2-enylamino)pentan-1-ol (CID 104696137) is 4-methyl-3-(2-methylprop-2-enylamino)pentan-1-ol.
What is the SMILES notation for 4-methyl-3-(2-methylprop-2-enylamino)pentan-1-ol?
The canonical SMILES for 4-methyl-3-(2-methylprop-2-enylamino)pentan-1-ol is C=C(C)CNC(CCO)C(C)C.
What is the InChIKey of 4-methyl-3-(2-methylprop-2-enylamino)pentan-1-ol?
The InChIKey is ZIDMWIRDOIJSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)7-11-10(5-6-12)9(3)4/h9-12H,1,5-7H2,2-4H3.
What are the key properties of 4-methyl-3-(2-methylprop-2-enylamino)pentan-1-ol?
4-methyl-3-(2-methylprop-2-enylamino)pentan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methylprop-2-enylamino)pentan-1-ol is sourced from PubChem (CID 104696137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).