N,N-di(propan-2-yl)propan-2-amine;hydrate

C9H23NO — CID 173081552

IUPACN,N-di(propan-2-yl)propan-2-amine;hydrate
SMILESCC(C)N(C(C)C)C(C)C.O
InChIInChI=1S/C9H21N.H2O/c1-7(2)10(8(3)4)9(5)6;/h7-9H,1-6H3;1H2
InChIKeyABPAGCXCCHJBAC-UHFFFAOYSA-N
MW161.29 g/mol
LogP1.69
Rot. Bonds3

About N,N-di(propan-2-yl)propan-2-amine;hydrate

N,N-di(propan-2-yl)propan-2-amine;hydrate (PubChem CID 173081552) has the molecular formula C9H23NO and a molecular weight of 161.29 g/mol. Its IUPAC name is N,N-di(propan-2-yl)propan-2-amine;hydrate.

Molecular Properties

Compound NameN,N-di(propan-2-yl)propan-2-amine;hydrate
PubChem CID173081552
Molecular FormulaC9H23NO
Molecular Weight161.29 g/mol
Exact Mass161.18
IUPAC NameN,N-di(propan-2-yl)propan-2-amine;hydrate
SMILESCC(C)N(C(C)C)C(C)C.O
InChIInChI=1S/C9H21N.H2O/c1-7(2)10(8(3)4)9(5)6;/h7-9H,1-6H3;1H2
InChIKeyABPAGCXCCHJBAC-UHFFFAOYSA-N
XLogP1.69
TPSA34.74 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetraethylammonium Hydroxide
CID 6509
Diisopropylethylamine
CID 81531
Tetrapropylammonium hydroxide
CID 20586
Triisopropylamine
CID 61924
N,N-Diisopropylmethylamine
CID 547370
Dimethyldipropylammonium hydroxide
CID 22056564
N,N-Diethyl-2-propanamine
CID 521913
Ethylbis(propan-2-yl)amine hydrochloride
CID 10997398
Borane N,N-diisopropylethylamine complex
CID 11789314
Dimethyl-di(propan-2-yl)azanium
CID 19885843
2-Butanamine, N,N-diethyl
CID 524226
Methyltripropylammonium hydroxide
CID 16218411

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)propan-2-amine;hydrate?
The IUPAC name of N,N-di(propan-2-yl)propan-2-amine;hydrate (CID 173081552) is N,N-di(propan-2-yl)propan-2-amine;hydrate.
What is the SMILES notation for N,N-di(propan-2-yl)propan-2-amine;hydrate?
The canonical SMILES for N,N-di(propan-2-yl)propan-2-amine;hydrate is CC(C)N(C(C)C)C(C)C.O.
What is the InChIKey of N,N-di(propan-2-yl)propan-2-amine;hydrate?
The InChIKey is ABPAGCXCCHJBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.H2O/c1-7(2)10(8(3)4)9(5)6;/h7-9H,1-6H3;1H2.
What are the key properties of N,N-di(propan-2-yl)propan-2-amine;hydrate?
N,N-di(propan-2-yl)propan-2-amine;hydrate has a molecular weight of 161.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)propan-2-amine;hydrate is sourced from PubChem (CID 173081552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).