N,3-dimethyl-2-(2-methylpentoxy)butan-1-amine

C12H27NO — CID 103285664

IUPACN,3-dimethyl-2-(2-methylpentoxy)butan-1-amine
SMILESCCCC(C)COC(CNC)C(C)C
InChIInChI=1S/C12H27NO/c1-6-7-11(4)9-14-12(8-13-5)10(2)3/h10-13H,6-9H2,1-5H3
InChIKeyWWPFXRFEEMYNFK-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.68
Rot. Bonds8

About N,3-dimethyl-2-(2-methylpentoxy)butan-1-amine

N,3-dimethyl-2-(2-methylpentoxy)butan-1-amine (PubChem CID 103285664) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N,3-dimethyl-2-(2-methylpentoxy)butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-(2-methylpentoxy)butan-1-amine
PubChem CID103285664
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN,3-dimethyl-2-(2-methylpentoxy)butan-1-amine
SMILESCCCC(C)COC(CNC)C(C)C
InChIInChI=1S/C12H27NO/c1-6-7-11(4)9-14-12(8-13-5)10(2)3/h10-13H,6-9H2,1-5H3
InChIKeyWWPFXRFEEMYNFK-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpentoxy)ethanol
CID 173285010
N,3-dimethyl-2-prop-2-enoxybutan-1-amine
CID 62442257
2-methylpentyl hypofluorite
CID 164530616
N-[2-(2-methylpentoxy)propyl]butan-2-amine
CID 103285813
2-(2-methylpentoxy)-N-propylbutan-1-amine
CID 103285571
N,2-dimethyl-3-propan-2-yloxypropan-1-amine
CID 103635829
2-but-2-enoxy-N,3-dimethylbutan-1-amine
CID 76943471
2-amino-N-methyl-3-(2-methylpentoxy)butanamide;ethane
CID 166554157
2-[2-(dimethylamino)-2-methylpropoxy]-N,3-dimethylbutan-1-amine
CID 79679961
2-(2-methylpentoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 103285826
N,4-dimethyl-2-(2-methylpropyl)heptan-1-amine
CID 62528910
N,2-dimethyl-4-propylheptan-1-amine
CID 142144004

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-(2-methylpentoxy)butan-1-amine?
The IUPAC name of N,3-dimethyl-2-(2-methylpentoxy)butan-1-amine (CID 103285664) is N,3-dimethyl-2-(2-methylpentoxy)butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-(2-methylpentoxy)butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-(2-methylpentoxy)butan-1-amine is CCCC(C)COC(CNC)C(C)C.
What is the InChIKey of N,3-dimethyl-2-(2-methylpentoxy)butan-1-amine?
The InChIKey is WWPFXRFEEMYNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-7-11(4)9-14-12(8-13-5)10(2)3/h10-13H,6-9H2,1-5H3.
What are the key properties of N,3-dimethyl-2-(2-methylpentoxy)butan-1-amine?
N,3-dimethyl-2-(2-methylpentoxy)butan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-(2-methylpentoxy)butan-1-amine is sourced from PubChem (CID 103285664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).