N-methyl-1-propan-2-yloxypentan-2-amine;molecular hydrogen

C9H23NO — CID 178104380

IUPACN-methyl-1-propan-2-yloxypentan-2-amine;molecular hydrogen
SMILESCCCC(COC(C)C)NC.[H][H]
InChIInChI=1S/C9H21NO.H2/c1-5-6-9(10-4)7-11-8(2)3;/h8-10H,5-7H2,1-4H3;1H
InChIKeyCKLABDKGROQLKH-UHFFFAOYSA-N
MW161.29 g/mol
LogP2.05
Rot. Bonds6

About N-methyl-1-propan-2-yloxypentan-2-amine;molecular hydrogen

N-methyl-1-propan-2-yloxypentan-2-amine;molecular hydrogen (PubChem CID 178104380) has the molecular formula C9H23NO and a molecular weight of 161.29 g/mol. Its IUPAC name is N-methyl-1-propan-2-yloxypentan-2-amine;molecular hydrogen.

Molecular Properties

Compound NameN-methyl-1-propan-2-yloxypentan-2-amine;molecular hydrogen
PubChem CID178104380
Molecular FormulaC9H23NO
Molecular Weight161.29 g/mol
Exact Mass161.18
IUPAC NameN-methyl-1-propan-2-yloxypentan-2-amine;molecular hydrogen
SMILESCCCC(COC(C)C)NC.[H][H]
InChIInChI=1S/C9H21NO.H2/c1-5-6-9(10-4)7-11-8(2)3;/h8-10H,5-7H2,1-4H3;1H
InChIKeyCKLABDKGROQLKH-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-yloxypentan-2-amine;molecular hydrogen?
The IUPAC name of N-methyl-1-propan-2-yloxypentan-2-amine;molecular hydrogen (CID 178104380) is N-methyl-1-propan-2-yloxypentan-2-amine;molecular hydrogen.
What is the SMILES notation for N-methyl-1-propan-2-yloxypentan-2-amine;molecular hydrogen?
The canonical SMILES for N-methyl-1-propan-2-yloxypentan-2-amine;molecular hydrogen is CCCC(COC(C)C)NC.[H][H].
What is the InChIKey of N-methyl-1-propan-2-yloxypentan-2-amine;molecular hydrogen?
The InChIKey is CKLABDKGROQLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO.H2/c1-5-6-9(10-4)7-11-8(2)3;/h8-10H,5-7H2,1-4H3;1H.
What are the key properties of N-methyl-1-propan-2-yloxypentan-2-amine;molecular hydrogen?
N-methyl-1-propan-2-yloxypentan-2-amine;molecular hydrogen has a molecular weight of 161.29 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yloxypentan-2-amine;molecular hydrogen is sourced from PubChem (CID 178104380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).