7-ethoxy-N-propylheptan-1-amine

C12H27NO — CID 163393813

IUPAC7-ethoxy-N-propylheptan-1-amine
SMILESCCCNCCCCCCCOCC
InChIInChI=1S/C12H27NO/c1-3-10-13-11-8-6-5-7-9-12-14-4-2/h13H,3-12H2,1-2H3
InChIKeyDCLYBQYXRZHRTC-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.97
Rot. Bonds11

About 7-ethoxy-N-propylheptan-1-amine

7-ethoxy-N-propylheptan-1-amine (PubChem CID 163393813) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 7-ethoxy-N-propylheptan-1-amine.

Molecular Properties

Compound Name7-ethoxy-N-propylheptan-1-amine
PubChem CID163393813
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name7-ethoxy-N-propylheptan-1-amine
SMILESCCCNCCCCCCCOCC
InChIInChI=1S/C12H27NO/c1-3-10-13-11-8-6-5-7-9-12-14-4-2/h13H,3-12H2,1-2H3
InChIKeyDCLYBQYXRZHRTC-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-pentoxy-N-propylpentan-1-amine
CID 62451179
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine
CID 62565012
3-hexoxy-N-propylpropan-1-amine
CID 62456253
2-ethoxy-N-(2-octoxyethyl)ethanamine
CID 62597622
5-[2-(3-methoxypropoxy)ethoxy]-N-propylpentan-1-amine
CID 103181294
3-pentoxy-N-propylpropan-1-amine
CID 62451352
N-(2-ethoxyethyl)propan-1-amine;methane
CID 157152444
5-[2-(dimethylamino)ethoxy]-N-propylpentan-1-amine
CID 62458591
N-(2-undecoxyethyl)propan-1-amine
CID 22091510
N,N'-dipropylicosane-1,20-diamine;dihydrobromide
CID 173263708
N-propyl-5-(4,4,4-trifluorobutoxy)pentan-1-amine
CID 82792890

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-N-propylheptan-1-amine?
The IUPAC name of 7-ethoxy-N-propylheptan-1-amine (CID 163393813) is 7-ethoxy-N-propylheptan-1-amine.
What is the SMILES notation for 7-ethoxy-N-propylheptan-1-amine?
The canonical SMILES for 7-ethoxy-N-propylheptan-1-amine is CCCNCCCCCCCOCC.
What is the InChIKey of 7-ethoxy-N-propylheptan-1-amine?
The InChIKey is DCLYBQYXRZHRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-3-10-13-11-8-6-5-7-9-12-14-4-2/h13H,3-12H2,1-2H3.
What are the key properties of 7-ethoxy-N-propylheptan-1-amine?
7-ethoxy-N-propylheptan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.97, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-N-propylheptan-1-amine is sourced from PubChem (CID 163393813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).