2-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine;molecular hydrogen

C12H29NO — CID 157169252

IUPAC2-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine;molecular hydrogen
SMILESCC(C)CCCOCCNCC(C)C.[H][H]
InChIInChI=1S/C12H27NO.H2/c1-11(2)6-5-8-14-9-7-13-10-12(3)4;/h11-13H,5-10H2,1-4H3;1H
InChIKeyANGNPDJZVIWXKP-UHFFFAOYSA-N
MW203.37 g/mol
LogP2.93
Rot. Bonds9

About 2-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine;molecular hydrogen

2-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine;molecular hydrogen (PubChem CID 157169252) has the molecular formula C12H29NO and a molecular weight of 203.37 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine;molecular hydrogen.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine;molecular hydrogen
PubChem CID157169252
Molecular FormulaC12H29NO
Molecular Weight203.37 g/mol
Exact Mass203.22
IUPAC Name2-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine;molecular hydrogen
SMILESCC(C)CCCOCCNCC(C)C.[H][H]
InChIInChI=1S/C12H27NO.H2/c1-11(2)6-5-8-14-9-7-13-10-12(3)4;/h11-13H,5-10H2,1-4H3;1H
InChIKeyANGNPDJZVIWXKP-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine;molecular hydrogen 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

2-methyl-N-[3-[3-(4-methylpentoxy)propoxy]propyl]propan-1-amine;molecular hydrogen
CID 158253210
4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456980
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-1-amine
CID 142623041
N-(2-heptoxyethyl)-2-methylpropan-1-amine
CID 62457906
N-[2-[2-(3-aminopropoxy)ethoxy]ethyl]-2-methylpropan-1-amine
CID 171539596
N-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 166800536
5-(4-methylpentoxy)-2-[(2-methylpropylamino)methyl]pentanoic acid;molecular hydrogen
CID 159075229
1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585726
4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 54104955
(2S)-1-[2-[2-(2-methylpropylamino)ethoxy]ethylamino]propane-2-thiol
CID 167242879
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine
CID 106449858
5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine
CID 163400443

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine;molecular hydrogen?
The IUPAC name of 2-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine;molecular hydrogen (CID 157169252) is 2-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine;molecular hydrogen.
What is the SMILES notation for 2-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine;molecular hydrogen?
The canonical SMILES for 2-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine;molecular hydrogen is CC(C)CCCOCCNCC(C)C.[H][H].
What is the InChIKey of 2-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine;molecular hydrogen?
The InChIKey is ANGNPDJZVIWXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO.H2/c1-11(2)6-5-8-14-9-7-13-10-12(3)4;/h11-13H,5-10H2,1-4H3;1H.
What are the key properties of 2-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine;molecular hydrogen?
2-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine;molecular hydrogen has a molecular weight of 203.37 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine;molecular hydrogen is sourced from PubChem (CID 157169252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).