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

N,N-di(propan-2-yl)propan-2-amine;N-methylmethanimine;2-methylpropane
CID 123192010
1-fluoro-N,N,N',N'-tetra(propan-2-yl)methanediamine
CID 139882033
1-[1-hydroxyethyl(propan-2-yl)amino]ethanol
CID 57090083
N-[1-[1-[di(propan-2-yl)amino]ethoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 19822699
N-(1-phosphanylethyl)-N-propan-2-ylpropan-2-amine;hydrochloride
CID 174657349
1,1-difluoro-N,N-di(propan-2-yl)propan-2-amine
CID 176685681
(2S)-N,N-di(propan-2-yl)but-3-en-2-amine
CID 163439575
N-(1-dichlorosilylethyl)-N-propan-2-ylpropan-2-amine
CID 174721023
N-[1-[dimethyl(silyl)silyl]ethyl]-N-propan-2-ylpropan-2-amine
CID 174482806
N,N-di(propan-2-yl)propan-2-amine;methyl-tri(propan-2-yl)azanium;2,3,4-trimethyl-3-propan-2-ylpentane
CID 160841949
N-(1-cyclopropylethyl)-N-propan-2-ylpropan-2-amine
CID 151971925
N-propan-2-yl-N-(1-propan-2-yloxyphosphanylethyl)propan-2-amine
CID 174771444

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).