N-heptoxyethanamine

C9H21NO — CID 88792401

IUPACN-heptoxyethanamine
SMILESCCCCCCCONCC
InChIInChI=1S/C9H21NO/c1-3-5-6-7-8-9-11-10-4-2/h10H,3-9H2,1-2H3
InChIKeyVZEKDXYRXATSTE-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.50
Rot. Bonds8

About N-heptoxyethanamine

N-heptoxyethanamine (PubChem CID 88792401) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-heptoxyethanamine.

Molecular Properties

Compound NameN-heptoxyethanamine
PubChem CID88792401
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-heptoxyethanamine
SMILESCCCCCCCONCC
InChIInChI=1S/C9H21NO/c1-3-5-6-7-8-9-11-10-4-2/h10H,3-9H2,1-2H3
InChIKeyVZEKDXYRXATSTE-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-octadecoxypropan-1-amine
CID 18519352
CID 174727700
CID 174727700
3-dodecoxy-N-tetradecoxypropan-1-amine
CID 87645164
CID 159860963
CID 159860963
N-butoxydecan-1-amine
CID 154317996
cyclopropane;N-dodecoxypropan-1-amine
CID 130367915
dodecanoic acid;N-propoxyethanamine
CID 174925397
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-dodecoxyhexadecane
CID 22256973
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156

Frequently Asked Questions

What is the IUPAC name of N-heptoxyethanamine?
The IUPAC name of N-heptoxyethanamine (CID 88792401) is N-heptoxyethanamine.
What is the SMILES notation for N-heptoxyethanamine?
The canonical SMILES for N-heptoxyethanamine is CCCCCCCONCC.
What is the InChIKey of N-heptoxyethanamine?
The InChIKey is VZEKDXYRXATSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-3-5-6-7-8-9-11-10-4-2/h10H,3-9H2,1-2H3.
What are the key properties of N-heptoxyethanamine?
N-heptoxyethanamine has a molecular weight of 159.27 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptoxyethanamine is sourced from PubChem (CID 88792401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).