N-[(2Z,4Z)-2-propan-2-ylhexa-2,4-dienoxy]methanamine

C10H19NO — CID 134290126

IUPACN-[(2Z,4Z)-2-propan-2-ylhexa-2,4-dienoxy]methanamine
SMILESC/C=C\C=C(/CONC)C(C)C
InChIInChI=1S/C10H19NO/c1-5-6-7-10(9(2)3)8-12-11-4/h5-7,9,11H,8H2,1-4H3/b6-5-,10-7+
InChIKeyLPWHQXNBCMLYHR-ZZWPSLBBSA-N
MW169.27 g/mol
LogP2.30
Rot. Bonds5

About N-[(2Z,4Z)-2-propan-2-ylhexa-2,4-dienoxy]methanamine

N-[(2Z,4Z)-2-propan-2-ylhexa-2,4-dienoxy]methanamine (PubChem CID 134290126) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-[(2Z,4Z)-2-propan-2-ylhexa-2,4-dienoxy]methanamine.

Molecular Properties

Compound NameN-[(2Z,4Z)-2-propan-2-ylhexa-2,4-dienoxy]methanamine
PubChem CID134290126
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-[(2Z,4Z)-2-propan-2-ylhexa-2,4-dienoxy]methanamine
SMILESC/C=C\C=C(/CONC)C(C)C
InChIInChI=1S/C10H19NO/c1-5-6-7-10(9(2)3)8-12-11-4/h5-7,9,11H,8H2,1-4H3/b6-5-,10-7+
InChIKeyLPWHQXNBCMLYHR-ZZWPSLBBSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5Z)-N-ethyl-2-methyl-3-propan-2-ylhepta-3,5-dien-2-amine
CID 129103639
O-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]hydroxylamine
CID 146533192
13-methyltetradeca-2,4-dien-5-ol
CID 141163275
N-(1-methoxyhexa-2,4-dien-2-yl)methanimine
CID 123372368
(2Z,4E)-N-methylhexa-2,4-dien-2-amine
CID 142249043
(2Z,4Z)-N-methylhexa-2,4-dien-2-amine
CID 89105834
N-[(Z)-but-2-enoxy]methanamine
CID 147128663
5-ethyl-7-methylnona-2,4-diene
CID 123846326
ethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene
CID 142182203
(2E,4Z)-2-propan-2-ylhexa-2,4-dienenitrile
CID 147215892
methyl 2-(methylaminooxy)acetate
CID 87955923
(2Z,4E)-2-ethyl-N-methylhexa-2,4-dien-1-amine
CID 55298161

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-2-propan-2-ylhexa-2,4-dienoxy]methanamine?
The IUPAC name of N-[(2Z,4Z)-2-propan-2-ylhexa-2,4-dienoxy]methanamine (CID 134290126) is N-[(2Z,4Z)-2-propan-2-ylhexa-2,4-dienoxy]methanamine.
What is the SMILES notation for N-[(2Z,4Z)-2-propan-2-ylhexa-2,4-dienoxy]methanamine?
The canonical SMILES for N-[(2Z,4Z)-2-propan-2-ylhexa-2,4-dienoxy]methanamine is C/C=C\C=C(/CONC)C(C)C.
What is the InChIKey of N-[(2Z,4Z)-2-propan-2-ylhexa-2,4-dienoxy]methanamine?
The InChIKey is LPWHQXNBCMLYHR-ZZWPSLBBSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-6-7-10(9(2)3)8-12-11-4/h5-7,9,11H,8H2,1-4H3/b6-5-,10-7+.
What are the key properties of N-[(2Z,4Z)-2-propan-2-ylhexa-2,4-dienoxy]methanamine?
N-[(2Z,4Z)-2-propan-2-ylhexa-2,4-dienoxy]methanamine has a molecular weight of 169.27 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-2-propan-2-ylhexa-2,4-dienoxy]methanamine is sourced from PubChem (CID 134290126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).