N-propan-2-yl-5-propan-2-yloxypent-1-en-2-amine

C11H23NO — CID 178056525

IUPACN-propan-2-yl-5-propan-2-yloxypent-1-en-2-amine
SMILESC=C(CCCOC(C)C)NC(C)C
InChIInChI=1S/C11H23NO/c1-9(2)12-11(5)7-6-8-13-10(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyLWKDKEXNRNBUHQ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.70
Rot. Bonds7

About N-propan-2-yl-5-propan-2-yloxypent-1-en-2-amine

N-propan-2-yl-5-propan-2-yloxypent-1-en-2-amine (PubChem CID 178056525) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-propan-2-yl-5-propan-2-yloxypent-1-en-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-5-propan-2-yloxypent-1-en-2-amine
PubChem CID178056525
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-propan-2-yl-5-propan-2-yloxypent-1-en-2-amine
SMILESC=C(CCCOC(C)C)NC(C)C
InChIInChI=1S/C11H23NO/c1-9(2)12-11(5)7-6-8-13-10(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyLWKDKEXNRNBUHQ-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-propan-2-yloxypent-1-en-2-amine?
The IUPAC name of N-propan-2-yl-5-propan-2-yloxypent-1-en-2-amine (CID 178056525) is N-propan-2-yl-5-propan-2-yloxypent-1-en-2-amine.
What is the SMILES notation for N-propan-2-yl-5-propan-2-yloxypent-1-en-2-amine?
The canonical SMILES for N-propan-2-yl-5-propan-2-yloxypent-1-en-2-amine is C=C(CCCOC(C)C)NC(C)C.
What is the InChIKey of N-propan-2-yl-5-propan-2-yloxypent-1-en-2-amine?
The InChIKey is LWKDKEXNRNBUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)12-11(5)7-6-8-13-10(3)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of N-propan-2-yl-5-propan-2-yloxypent-1-en-2-amine?
N-propan-2-yl-5-propan-2-yloxypent-1-en-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-propan-2-yloxypent-1-en-2-amine is sourced from PubChem (CID 178056525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).