N-methyl-1-[(Z)-2-methylhex-3-en-2-yl]oxymethanamine

C9H19NO — CID 170092422

IUPACN-methyl-1-[(Z)-2-methylhex-3-en-2-yl]oxymethanamine
SMILESCC/C=C\C(C)(C)OCNC
InChIInChI=1S/C9H19NO/c1-5-6-7-9(2,3)11-8-10-4/h6-7,10H,5,8H2,1-4H3/b7-6-
InChIKeyDOWHBCQUEQPQDP-SREVYHEPSA-N
MW157.26 g/mol
LogP1.92
Rot. Bonds5

About N-methyl-1-[(Z)-2-methylhex-3-en-2-yl]oxymethanamine

N-methyl-1-[(Z)-2-methylhex-3-en-2-yl]oxymethanamine (PubChem CID 170092422) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-methyl-1-[(Z)-2-methylhex-3-en-2-yl]oxymethanamine.

Molecular Properties

Compound NameN-methyl-1-[(Z)-2-methylhex-3-en-2-yl]oxymethanamine
PubChem CID170092422
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-methyl-1-[(Z)-2-methylhex-3-en-2-yl]oxymethanamine
SMILESCC/C=C\C(C)(C)OCNC
InChIInChI=1S/C9H19NO/c1-5-6-7-9(2,3)11-8-10-4/h6-7,10H,5,8H2,1-4H3/b7-6-
InChIKeyDOWHBCQUEQPQDP-SREVYHEPSA-N
XLogP1.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(Z)-2-methylhex-3-en-2-yl]oxymethanamine?
The IUPAC name of N-methyl-1-[(Z)-2-methylhex-3-en-2-yl]oxymethanamine (CID 170092422) is N-methyl-1-[(Z)-2-methylhex-3-en-2-yl]oxymethanamine.
What is the SMILES notation for N-methyl-1-[(Z)-2-methylhex-3-en-2-yl]oxymethanamine?
The canonical SMILES for N-methyl-1-[(Z)-2-methylhex-3-en-2-yl]oxymethanamine is CC/C=C\C(C)(C)OCNC.
What is the InChIKey of N-methyl-1-[(Z)-2-methylhex-3-en-2-yl]oxymethanamine?
The InChIKey is DOWHBCQUEQPQDP-SREVYHEPSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-6-7-9(2,3)11-8-10-4/h6-7,10H,5,8H2,1-4H3/b7-6-.
What are the key properties of N-methyl-1-[(Z)-2-methylhex-3-en-2-yl]oxymethanamine?
N-methyl-1-[(Z)-2-methylhex-3-en-2-yl]oxymethanamine has a molecular weight of 157.26 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(Z)-2-methylhex-3-en-2-yl]oxymethanamine is sourced from PubChem (CID 170092422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).