N,3,3-trimethyl-1-propoxypentan-2-amine

C11H25NO — CID 105008333

IUPACN,3,3-trimethyl-1-propoxypentan-2-amine
SMILESCCCOCC(NC)C(C)(C)CC
InChIInChI=1S/C11H25NO/c1-6-8-13-9-10(12-5)11(3,4)7-2/h10,12H,6-9H2,1-5H3
InChIKeyKKYJLLAMQRLGNG-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.44
Rot. Bonds7

About N,3,3-trimethyl-1-propoxypentan-2-amine

N,3,3-trimethyl-1-propoxypentan-2-amine (PubChem CID 105008333) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N,3,3-trimethyl-1-propoxypentan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-1-propoxypentan-2-amine
PubChem CID105008333
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN,3,3-trimethyl-1-propoxypentan-2-amine
SMILESCCCOCC(NC)C(C)(C)CC
InChIInChI=1S/C11H25NO/c1-6-8-13-9-10(12-5)11(3,4)7-2/h10,12H,6-9H2,1-5H3
InChIKeyKKYJLLAMQRLGNG-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.44
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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Related Compounds

1-ethoxy-N,3,3-trimethylpentan-2-amine
CID 105007892
(4R)-N,3,3-trimethylnonan-4-amine
CID 126620511
N,3,3-trimethylhexadecan-4-amine
CID 115846506
1-ethoxy-N-methyl-3-propoxypropan-2-amine
CID 79574489
N-methyl-1-(2-propoxyethoxy)propan-2-amine
CID 63686556
2-N,3-N,3-N-triethyl-3-methyl-1-propoxybutane-2,3-diamine
CID 79574686
(1-methoxy-3,3-dimethylpentan-2-yl)hydrazine
CID 105321734
1-methoxy-N-methyl-3-(2-propoxyethoxy)propan-2-amine
CID 107506859
2-methyl-2-[1-(2-propoxyethoxy)propan-2-yloxy]propane
CID 121485807
(2S)-2-(methylamino)-3-propoxypropanoic acid
CID 142490785
3,3-dimethyl-1-propoxybutan-2-ol
CID 20658603
(3-methyl-3-piperidin-1-yl-1-propoxypentan-2-yl)hydrazine
CID 105241264

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-1-propoxypentan-2-amine?
The IUPAC name of N,3,3-trimethyl-1-propoxypentan-2-amine (CID 105008333) is N,3,3-trimethyl-1-propoxypentan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-1-propoxypentan-2-amine?
The canonical SMILES for N,3,3-trimethyl-1-propoxypentan-2-amine is CCCOCC(NC)C(C)(C)CC.
What is the InChIKey of N,3,3-trimethyl-1-propoxypentan-2-amine?
The InChIKey is KKYJLLAMQRLGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-8-13-9-10(12-5)11(3,4)7-2/h10,12H,6-9H2,1-5H3.
What are the key properties of N,3,3-trimethyl-1-propoxypentan-2-amine?
N,3,3-trimethyl-1-propoxypentan-2-amine has a molecular weight of 187.33 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-1-propoxypentan-2-amine is sourced from PubChem (CID 105008333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).