N,3-dimethyl-2-pentoxypent-1-en-3-amine

C12H25NO — CID 123541775

IUPACN,3-dimethyl-2-pentoxypent-1-en-3-amine
SMILESC=C(OCCCCC)C(C)(CC)NC
InChIInChI=1S/C12H25NO/c1-6-8-9-10-14-11(3)12(4,7-2)13-5/h13H,3,6-10H2,1-2,4-5H3
InChIKeyKMFDYEUQCQOGIR-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.10
Rot. Bonds8

About N,3-dimethyl-2-pentoxypent-1-en-3-amine

N,3-dimethyl-2-pentoxypent-1-en-3-amine (PubChem CID 123541775) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N,3-dimethyl-2-pentoxypent-1-en-3-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-pentoxypent-1-en-3-amine
PubChem CID123541775
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN,3-dimethyl-2-pentoxypent-1-en-3-amine
SMILESC=C(OCCCCC)C(C)(CC)NC
InChIInChI=1S/C12H25NO/c1-6-8-9-10-14-11(3)12(4,7-2)13-5/h13H,3,6-10H2,1-2,4-5H3
InChIKeyKMFDYEUQCQOGIR-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-methylidene-N-propan-2-yloxolan-3-amine
CID 10678460
N,4-dimethyl-2-propan-2-yloxypent-1-en-3-amine
CID 123675374
3-(2-ethylhexoxy)-N,2-dimethylbut-3-en-2-amine
CID 134238611
(3R)-N,5-dimethyl-2-propan-2-yloxyhex-1-en-3-amine
CID 145642012
N,5-dimethyl-2-propan-2-yloxyhex-1-en-3-amine
CID 147933934
3-ethoxy-N,2-dimethylbut-3-en-2-amine
CID 23599172

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-pentoxypent-1-en-3-amine?
The IUPAC name of N,3-dimethyl-2-pentoxypent-1-en-3-amine (CID 123541775) is N,3-dimethyl-2-pentoxypent-1-en-3-amine.
What is the SMILES notation for N,3-dimethyl-2-pentoxypent-1-en-3-amine?
The canonical SMILES for N,3-dimethyl-2-pentoxypent-1-en-3-amine is C=C(OCCCCC)C(C)(CC)NC.
What is the InChIKey of N,3-dimethyl-2-pentoxypent-1-en-3-amine?
The InChIKey is KMFDYEUQCQOGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-8-9-10-14-11(3)12(4,7-2)13-5/h13H,3,6-10H2,1-2,4-5H3.
What are the key properties of N,3-dimethyl-2-pentoxypent-1-en-3-amine?
N,3-dimethyl-2-pentoxypent-1-en-3-amine has a molecular weight of 199.34 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-pentoxypent-1-en-3-amine is sourced from PubChem (CID 123541775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).