ethane;4-methyl-3-(methylamino)pentan-1-ol

C9H23NO — CID 142847915

IUPACethane;4-methyl-3-(methylamino)pentan-1-ol
SMILESCC.CNC(CCO)C(C)C
InChIInChI=1S/C7H17NO.C2H6/c1-6(2)7(8-3)4-5-9;1-2/h6-9H,4-5H2,1-3H3;1-2H3
InChIKeyZZVLEVPTNNCJMA-UHFFFAOYSA-N
MW161.29 g/mol
LogP1.64
Rot. Bonds4

About ethane;4-methyl-3-(methylamino)pentan-1-ol

ethane;4-methyl-3-(methylamino)pentan-1-ol (PubChem CID 142847915) has the molecular formula C9H23NO and a molecular weight of 161.29 g/mol. Its IUPAC name is ethane;4-methyl-3-(methylamino)pentan-1-ol.

Molecular Properties

Compound Nameethane;4-methyl-3-(methylamino)pentan-1-ol
PubChem CID142847915
Molecular FormulaC9H23NO
Molecular Weight161.29 g/mol
Exact Mass161.18
IUPAC Nameethane;4-methyl-3-(methylamino)pentan-1-ol
SMILESCC.CNC(CCO)C(C)C
InChIInChI=1S/C7H17NO.C2H6/c1-6(2)7(8-3)4-5-9;1-2/h6-9H,4-5H2,1-3H3;1-2H3
InChIKeyZZVLEVPTNNCJMA-UHFFFAOYSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-3-(methylamino)pentan-1-ol?
The IUPAC name of ethane;4-methyl-3-(methylamino)pentan-1-ol (CID 142847915) is ethane;4-methyl-3-(methylamino)pentan-1-ol.
What is the SMILES notation for ethane;4-methyl-3-(methylamino)pentan-1-ol?
The canonical SMILES for ethane;4-methyl-3-(methylamino)pentan-1-ol is CC.CNC(CCO)C(C)C.
What is the InChIKey of ethane;4-methyl-3-(methylamino)pentan-1-ol?
The InChIKey is ZZVLEVPTNNCJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.C2H6/c1-6(2)7(8-3)4-5-9;1-2/h6-9H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;4-methyl-3-(methylamino)pentan-1-ol?
ethane;4-methyl-3-(methylamino)pentan-1-ol has a molecular weight of 161.29 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-3-(methylamino)pentan-1-ol is sourced from PubChem (CID 142847915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).