3-ethyl-N-(3-methoxy-2-methylpropyl)pentan-3-amine

C12H27NO — CID 116501336

IUPAC3-ethyl-N-(3-methoxy-2-methylpropyl)pentan-3-amine
SMILESCCC(CC)(CC)NCC(C)COC
InChIInChI=1S/C12H27NO/c1-6-12(7-2,8-3)13-9-11(4)10-14-5/h11,13H,6-10H2,1-5H3
InChIKeyPNRFEJVXDVNMBB-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds8

About 3-ethyl-N-(3-methoxy-2-methylpropyl)pentan-3-amine

3-ethyl-N-(3-methoxy-2-methylpropyl)pentan-3-amine (PubChem CID 116501336) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 3-ethyl-N-(3-methoxy-2-methylpropyl)pentan-3-amine.

Molecular Properties

Compound Name3-ethyl-N-(3-methoxy-2-methylpropyl)pentan-3-amine
PubChem CID116501336
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name3-ethyl-N-(3-methoxy-2-methylpropyl)pentan-3-amine
SMILESCCC(CC)(CC)NCC(C)COC
InChIInChI=1S/C12H27NO/c1-6-12(7-2,8-3)13-9-11(4)10-14-5/h11,13H,6-10H2,1-5H3
InChIKeyPNRFEJVXDVNMBB-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethylpentan-3-yl)-2-methylbutane-1,4-diamine
CID 80544089
1-N-(3-ethylpentan-3-yl)-4-methoxybutane-1,2-diamine
CID 65041304
N'-(3-ethylpentan-3-yl)-2-methoxypropane-1,3-diamine
CID 106114896
(2R)-3-methoxy-2-methylpropan-1-amine;(2R)-3-methoxy-2-methyl-N-propan-2-ylpropan-1-amine
CID 161351660
methane;1-methoxy-2-methylbutane
CID 159281556
2-ethyl-2-(1-methoxypropan-2-ylamino)propane-1,3-diol
CID 103935629
1-ethyl-3-(3-methoxy-2-methylpropyl)urea
CID 115593972
methyl N-(3-methoxy-2-methylpropyl)carbamate
CID 115593989
ethane;1-methoxy-2-methylbutane;propane
CID 143686071
N-tert-butyl-2-methyl-3-(2-propoxyethoxy)propan-1-amine
CID 103074770
1-N-(3-methoxy-2-methylpropyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 115688254
2-(hydroxymethyl)-2-(2-methylbutylamino)propane-1,3-diol
CID 107850968

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-methoxy-2-methylpropyl)pentan-3-amine?
The IUPAC name of 3-ethyl-N-(3-methoxy-2-methylpropyl)pentan-3-amine (CID 116501336) is 3-ethyl-N-(3-methoxy-2-methylpropyl)pentan-3-amine.
What is the SMILES notation for 3-ethyl-N-(3-methoxy-2-methylpropyl)pentan-3-amine?
The canonical SMILES for 3-ethyl-N-(3-methoxy-2-methylpropyl)pentan-3-amine is CCC(CC)(CC)NCC(C)COC.
What is the InChIKey of 3-ethyl-N-(3-methoxy-2-methylpropyl)pentan-3-amine?
The InChIKey is PNRFEJVXDVNMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-12(7-2,8-3)13-9-11(4)10-14-5/h11,13H,6-10H2,1-5H3.
What are the key properties of 3-ethyl-N-(3-methoxy-2-methylpropyl)pentan-3-amine?
3-ethyl-N-(3-methoxy-2-methylpropyl)pentan-3-amine has a molecular weight of 201.35 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-methoxy-2-methylpropyl)pentan-3-amine is sourced from PubChem (CID 116501336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).