(E)-N-pentoxypentan-1-imine

C10H21NO — CID 18714719

IUPAC(E)-N-pentoxypentan-1-imine
SMILESCCCC/C=N/OCCCCC
InChIInChI=1S/C10H21NO/c1-3-5-7-9-11-12-10-8-6-4-2/h9H,3-8,10H2,1-2H3/b11-9+
InChIKeyCUUHDPBZADWHAG-PKNBQFBNSA-N
MW171.28 g/mol
LogP3.37
Rot. Bonds8

About (E)-N-pentoxypentan-1-imine

(E)-N-pentoxypentan-1-imine (PubChem CID 18714719) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (E)-N-pentoxypentan-1-imine.

Molecular Properties

Compound Name(E)-N-pentoxypentan-1-imine
PubChem CID18714719
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(E)-N-pentoxypentan-1-imine
SMILESCCCC/C=N/OCCCCC
InChIInChI=1S/C10H21NO/c1-3-5-7-9-11-12-10-8-6-4-2/h9H,3-8,10H2,1-2H3/b11-9+
InChIKeyCUUHDPBZADWHAG-PKNBQFBNSA-N
XLogP3.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N,N'-dipentoxyethane-1,2-diimine
CID 118112396
(E)-N,N'-dihexoxyethane-1,2-diimine
CID 174854419
(E)-N-(3-methoxypropoxy)butan-1-imine
CID 172988746
(E)-N-butoxy-2-chloroethanimine
CID 18926175
N-hexoxypropan-2-imine;N-pentoxypropan-2-imine
CID 91028134
2-decoxyguanidine
CID 154161085
2-dodecoxyguanidine
CID 158305776
N-[(2,3,4,5,6-pentafluorophenyl)methoxy]octan-1-imine
CID 602550
(E)-N-phenylmethoxyheptan-1-imine
CID 88959136
2,3-dihydroxypropyl-methyl-bis[2-[(E)-tetradecylideneamino]oxyethyl]azanium iodide
CID 169268639
(hexylideneamino) carbamate
CID 175176534
3-[(E)-propylideneamino]oxypropan-1-amine
CID 58685004

Frequently Asked Questions

What is the IUPAC name of (E)-N-pentoxypentan-1-imine?
The IUPAC name of (E)-N-pentoxypentan-1-imine (CID 18714719) is (E)-N-pentoxypentan-1-imine.
What is the SMILES notation for (E)-N-pentoxypentan-1-imine?
The canonical SMILES for (E)-N-pentoxypentan-1-imine is CCCC/C=N/OCCCCC.
What is the InChIKey of (E)-N-pentoxypentan-1-imine?
The InChIKey is CUUHDPBZADWHAG-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-5-7-9-11-12-10-8-6-4-2/h9H,3-8,10H2,1-2H3/b11-9+.
What are the key properties of (E)-N-pentoxypentan-1-imine?
(E)-N-pentoxypentan-1-imine has a molecular weight of 171.28 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-pentoxypentan-1-imine is sourced from PubChem (CID 18714719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).