N-[1-(2-methoxyethoxy)propan-2-yl]-4-methylpentan-2-amine

C12H27NO2 — CID 115891973

IUPACN-[1-(2-methoxyethoxy)propan-2-yl]-4-methylpentan-2-amine
SMILESCOCCOCC(C)NC(C)CC(C)C
InChIInChI=1S/C12H27NO2/c1-10(2)8-11(3)13-12(4)9-15-7-6-14-5/h10-13H,6-9H2,1-5H3
InChIKeyVVMOSUTVJZJCMQ-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.06
Rot. Bonds9

About N-[1-(2-methoxyethoxy)propan-2-yl]-4-methylpentan-2-amine

N-[1-(2-methoxyethoxy)propan-2-yl]-4-methylpentan-2-amine (PubChem CID 115891973) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is N-[1-(2-methoxyethoxy)propan-2-yl]-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyethoxy)propan-2-yl]-4-methylpentan-2-amine
PubChem CID115891973
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC NameN-[1-(2-methoxyethoxy)propan-2-yl]-4-methylpentan-2-amine
SMILESCOCCOCC(C)NC(C)CC(C)C
InChIInChI=1S/C12H27NO2/c1-10(2)8-11(3)13-12(4)9-15-7-6-14-5/h10-13H,6-9H2,1-5H3
InChIKeyVVMOSUTVJZJCMQ-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methoxyethoxy)propan-2-yl]pentan-2-amine
CID 115891937
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methylpropan-2-amine
CID 104560632
1-[2-(2-methoxyethoxy)ethoxy]-N-methylpropan-2-amine
CID 104560820
N-ethyl-1-(2-methoxyethoxy)-4,6-dimethylheptan-2-amine
CID 114201763
N-(1-methoxypropan-2-yl)pentan-2-amine
CID 43191929
4-methoxy-3-(4-methylpentan-2-ylamino)butan-1-ol
CID 115722598
N-(3-methoxypropyl)-2-(4-methylpentan-2-ylamino)propanamide
CID 43372145
2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane-1,1-diol
CID 87208063
1-amino-N-[1-(2-methoxyethoxy)propan-2-yl]cyclopropane-1-carboxamide
CID 119804030
1-(2-methoxyethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115891943
2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-4-methylpentan-1-ol
CID 106989573
1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine
CID 176738271

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethoxy)propan-2-yl]-4-methylpentan-2-amine?
The IUPAC name of N-[1-(2-methoxyethoxy)propan-2-yl]-4-methylpentan-2-amine (CID 115891973) is N-[1-(2-methoxyethoxy)propan-2-yl]-4-methylpentan-2-amine.
What is the SMILES notation for N-[1-(2-methoxyethoxy)propan-2-yl]-4-methylpentan-2-amine?
The canonical SMILES for N-[1-(2-methoxyethoxy)propan-2-yl]-4-methylpentan-2-amine is COCCOCC(C)NC(C)CC(C)C.
What is the InChIKey of N-[1-(2-methoxyethoxy)propan-2-yl]-4-methylpentan-2-amine?
The InChIKey is VVMOSUTVJZJCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-10(2)8-11(3)13-12(4)9-15-7-6-14-5/h10-13H,6-9H2,1-5H3.
What are the key properties of N-[1-(2-methoxyethoxy)propan-2-yl]-4-methylpentan-2-amine?
N-[1-(2-methoxyethoxy)propan-2-yl]-4-methylpentan-2-amine has a molecular weight of 217.35 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethoxy)propan-2-yl]-4-methylpentan-2-amine is sourced from PubChem (CID 115891973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).