N,4-dimethyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine

C13H29NO — CID 106456556

IUPACN,4-dimethyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine
SMILESCNCC(CCOCC(C)C)CC(C)C
InChIInChI=1S/C13H29NO/c1-11(2)8-13(9-14-5)6-7-15-10-12(3)4/h11-14H,6-10H2,1-5H3
InChIKeyVBDMOMBPXQKBCM-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.93
Rot. Bonds9

About N,4-dimethyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine

N,4-dimethyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine (PubChem CID 106456556) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N,4-dimethyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine
PubChem CID106456556
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN,4-dimethyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine
SMILESCNCC(CCOCC(C)C)CC(C)C
InChIInChI=1S/C13H29NO/c1-11(2)8-13(9-14-5)6-7-15-10-12(3)4/h11-14H,6-10H2,1-5H3
InChIKeyVBDMOMBPXQKBCM-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.93
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

N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 62529508
2-(2-ethoxyethyl)-N,4-dimethylpentan-1-amine
CID 62528504
N,4-dimethyl-2-(2-methylpropyl)pentan-1-amine
CID 62530298
5-methyl-1-(2-methylpropoxy)hexan-3-amine
CID 106459216
N-methyl-2-(2-methylpropyl)nonan-1-amine
CID 63496028
2-(cyclopropylmethoxymethyl)-N,4-dimethylpentan-1-amine
CID 106930588
2,4-dimethylpentane;methane;4-methyl-1-(2-methylpropoxy)pentane;2-methylpropane
CID 158163222
4-ethoxy-2-ethyl-N-methylbutan-1-amine
CID 62530936
N-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine
CID 106449827
N,6-dimethyl-1-(2-methylpropoxy)heptan-4-amine
CID 106454538
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
N,4-dimethyl-2-(2-methylpropyl)heptan-1-amine
CID 62528910

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine?
The IUPAC name of N,4-dimethyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine (CID 106456556) is N,4-dimethyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine.
What is the SMILES notation for N,4-dimethyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine?
The canonical SMILES for N,4-dimethyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine is CNCC(CCOCC(C)C)CC(C)C.
What is the InChIKey of N,4-dimethyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine?
The InChIKey is VBDMOMBPXQKBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-11(2)8-13(9-14-5)6-7-15-10-12(3)4/h11-14H,6-10H2,1-5H3.
What are the key properties of N,4-dimethyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine?
N,4-dimethyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine is sourced from PubChem (CID 106456556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).