7-cyclopropyl-N-(2-methoxyethyl)-3,3,6,6-tetramethylheptan-1-amine

C17H35NO — CID 126716211

IUPAC7-cyclopropyl-N-(2-methoxyethyl)-3,3,6,6-tetramethylheptan-1-amine
SMILESCOCCNCCC(C)(C)CCC(C)(C)CC1CC1
InChIInChI=1S/C17H35NO/c1-16(2,10-11-18-12-13-19-5)8-9-17(3,4)14-15-6-7-15/h15,18H,6-14H2,1-5H3
InChIKeyXBIFLUIHHBIDJS-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.25
Rot. Bonds11

About 7-cyclopropyl-N-(2-methoxyethyl)-3,3,6,6-tetramethylheptan-1-amine

7-cyclopropyl-N-(2-methoxyethyl)-3,3,6,6-tetramethylheptan-1-amine (PubChem CID 126716211) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 7-cyclopropyl-N-(2-methoxyethyl)-3,3,6,6-tetramethylheptan-1-amine.

Molecular Properties

Compound Name7-cyclopropyl-N-(2-methoxyethyl)-3,3,6,6-tetramethylheptan-1-amine
PubChem CID126716211
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name7-cyclopropyl-N-(2-methoxyethyl)-3,3,6,6-tetramethylheptan-1-amine
SMILESCOCCNCCC(C)(C)CCC(C)(C)CC1CC1
InChIInChI=1S/C17H35NO/c1-16(2,10-11-18-12-13-19-5)8-9-17(3,4)14-15-6-7-15/h15,18H,6-14H2,1-5H3
InChIKeyXBIFLUIHHBIDJS-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-cyclopropyl-N-(2-methoxyethyl)-3,3,6,6-tetramethylheptan-1-amine 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

N-(cyclopropylmethyl)-2-methoxyethanamine
CID 19353678
3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103019869
1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine
CID 64681637
N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54806858
4-methoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62724351
N-(2-methoxyethyl)-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine
CID 65304715
N-(2-cyclohexylethyl)-4-methoxy-2,2-dimethylbutan-1-amine
CID 103529191
N-[(4-butylcyclohexyl)methyl]-2-methoxyethanamine
CID 62542657
N-tert-butyl-3,3-dimethyl-4-(oxan-4-yl)butan-1-amine
CID 81033927
4-(2-methoxyethylamino)-2-pyrrolidin-2-ylbutan-2-ol
CID 66003683
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methoxyethyl)ethanamine
CID 79615061
N-(2-methoxyethyl)-N'-(2-methoxy-2-methylpropyl)ethane-1,2-diamine
CID 103019907

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-N-(2-methoxyethyl)-3,3,6,6-tetramethylheptan-1-amine?
The IUPAC name of 7-cyclopropyl-N-(2-methoxyethyl)-3,3,6,6-tetramethylheptan-1-amine (CID 126716211) is 7-cyclopropyl-N-(2-methoxyethyl)-3,3,6,6-tetramethylheptan-1-amine.
What is the SMILES notation for 7-cyclopropyl-N-(2-methoxyethyl)-3,3,6,6-tetramethylheptan-1-amine?
The canonical SMILES for 7-cyclopropyl-N-(2-methoxyethyl)-3,3,6,6-tetramethylheptan-1-amine is COCCNCCC(C)(C)CCC(C)(C)CC1CC1.
What is the InChIKey of 7-cyclopropyl-N-(2-methoxyethyl)-3,3,6,6-tetramethylheptan-1-amine?
The InChIKey is XBIFLUIHHBIDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-16(2,10-11-18-12-13-19-5)8-9-17(3,4)14-15-6-7-15/h15,18H,6-14H2,1-5H3.
What are the key properties of 7-cyclopropyl-N-(2-methoxyethyl)-3,3,6,6-tetramethylheptan-1-amine?
7-cyclopropyl-N-(2-methoxyethyl)-3,3,6,6-tetramethylheptan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.25, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-N-(2-methoxyethyl)-3,3,6,6-tetramethylheptan-1-amine is sourced from PubChem (CID 126716211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).