N,N-diethyl-2-(methoxymethyl)-4-methyl-2-propan-2-ylpentan-1-amine

C15H33NO — CID 139968885

IUPACN,N-diethyl-2-(methoxymethyl)-4-methyl-2-propan-2-ylpentan-1-amine
SMILESCCN(CC)CC(COC)(CC(C)C)C(C)C
InChIInChI=1S/C15H33NO/c1-8-16(9-2)11-15(12-17-7,14(5)6)10-13(3)4/h13-14H,8-12H2,1-7H3
InChIKeyKDXKPQHAFOUZPH-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.66
Rot. Bonds9

About N,N-diethyl-2-(methoxymethyl)-4-methyl-2-propan-2-ylpentan-1-amine

N,N-diethyl-2-(methoxymethyl)-4-methyl-2-propan-2-ylpentan-1-amine (PubChem CID 139968885) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is N,N-diethyl-2-(methoxymethyl)-4-methyl-2-propan-2-ylpentan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-2-(methoxymethyl)-4-methyl-2-propan-2-ylpentan-1-amine
PubChem CID139968885
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC NameN,N-diethyl-2-(methoxymethyl)-4-methyl-2-propan-2-ylpentan-1-amine
SMILESCCN(CC)CC(COC)(CC(C)C)C(C)C
InChIInChI=1S/C15H33NO/c1-8-16(9-2)11-15(12-17-7,14(5)6)10-13(3)4/h13-14H,8-12H2,1-7H3
InChIKeyKDXKPQHAFOUZPH-UHFFFAOYSA-N
XLogP3.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-bis(methoxymethyl)-2-methylpentane
CID 89106557
1-bromo-2-(bromomethyl)-2-(methoxymethyl)-3-methylbutane
CID 103985334
N,N-diethyl-3-methoxy-2,2-dimethylpropan-1-amine
CID 139968907
2-(methoxymethyl)-N,N-dimethyl-2-propan-2-ylpentan-1-amine
CID 139968966
2-(methoxymethyl)-N,N-dimethyl-2-propan-2-yldecan-1-amine
CID 139968931
5,6-dimethoxy-4,7-bis(methoxymethyl)-2,10-dimethyl-4-(2-methylpropyl)-7-propan-2-ylundecane
CID 57188585
3,3-bis(methoxymethyl)-2,6-dimethylheptane;3,3-bis(methoxymethyl)-2,4-dimethylpentane
CID 22373213
2-tert-butyl-2-(methoxymethyl)-N,N,4-trimethylpentan-1-amine
CID 139968948
3-(methoxymethyl)-6-methyl-3-propan-2-ylheptan-1-ol
CID 170393196
2-[(dimethylamino)methyl]-4-methyl-2-propan-2-ylpentan-1-ol
CID 139652444
4-(methoxymethoxymethyl)-4-(methoxymethyl)-2,6-dimethylheptane
CID 152544826
3,3-bis(methoxymethyl)-2,5-dimethylhexane;2,4-dimethoxybutylcyclohexane
CID 175406596

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(methoxymethyl)-4-methyl-2-propan-2-ylpentan-1-amine?
The IUPAC name of N,N-diethyl-2-(methoxymethyl)-4-methyl-2-propan-2-ylpentan-1-amine (CID 139968885) is N,N-diethyl-2-(methoxymethyl)-4-methyl-2-propan-2-ylpentan-1-amine.
What is the SMILES notation for N,N-diethyl-2-(methoxymethyl)-4-methyl-2-propan-2-ylpentan-1-amine?
The canonical SMILES for N,N-diethyl-2-(methoxymethyl)-4-methyl-2-propan-2-ylpentan-1-amine is CCN(CC)CC(COC)(CC(C)C)C(C)C.
What is the InChIKey of N,N-diethyl-2-(methoxymethyl)-4-methyl-2-propan-2-ylpentan-1-amine?
The InChIKey is KDXKPQHAFOUZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-8-16(9-2)11-15(12-17-7,14(5)6)10-13(3)4/h13-14H,8-12H2,1-7H3.
What are the key properties of N,N-diethyl-2-(methoxymethyl)-4-methyl-2-propan-2-ylpentan-1-amine?
N,N-diethyl-2-(methoxymethyl)-4-methyl-2-propan-2-ylpentan-1-amine has a molecular weight of 243.43 g/mol, XLogP of 3.66, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(methoxymethyl)-4-methyl-2-propan-2-ylpentan-1-amine is sourced from PubChem (CID 139968885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).