N-[2-(2-methylpentoxy)propyl]butan-2-amine

C13H29NO — CID 103285813

IUPACN-[2-(2-methylpentoxy)propyl]butan-2-amine
SMILESCCCC(C)COC(C)CNC(C)CC
InChIInChI=1S/C13H29NO/c1-6-8-11(3)10-15-13(5)9-14-12(4)7-2/h11-14H,6-10H2,1-5H3
InChIKeyLAFXBRJCWQPQBZ-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.22
Rot. Bonds9

About N-[2-(2-methylpentoxy)propyl]butan-2-amine

N-[2-(2-methylpentoxy)propyl]butan-2-amine (PubChem CID 103285813) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-[2-(2-methylpentoxy)propyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylpentoxy)propyl]butan-2-amine
PubChem CID103285813
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-[2-(2-methylpentoxy)propyl]butan-2-amine
SMILESCCCC(C)COC(C)CNC(C)CC
InChIInChI=1S/C13H29NO/c1-6-8-11(3)10-15-13(5)9-14-12(4)7-2/h11-14H,6-10H2,1-5H3
InChIKeyLAFXBRJCWQPQBZ-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-propan-2-yloxypropyl)butan-2-amine
CID 62567669
2-(2-methylpentoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 103285826
2-methylpentyl 2-(butan-2-ylamino)acetate
CID 103284244
N-[2-(2-butoxyethoxy)propyl]pentan-2-amine
CID 62598678
1-(butan-2-ylamino)pentan-2-ol
CID 21435603
2-(2-methylpentoxy)-N-propylbutan-1-amine
CID 103285571
1-(2-methylpentoxy)ethanol
CID 173285010
N-[2-(cyclopropylmethoxy)propyl]pentan-2-amine
CID 62598881
N,3-dimethyl-2-(2-methylpentoxy)butan-1-amine
CID 103285664
N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine
CID 82793136
2-(3-chloro-2-methylpropoxy)pentane
CID 102981443
N-(1-chloropropan-2-yl)-2-methylpentan-1-amine
CID 65025793

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpentoxy)propyl]butan-2-amine?
The IUPAC name of N-[2-(2-methylpentoxy)propyl]butan-2-amine (CID 103285813) is N-[2-(2-methylpentoxy)propyl]butan-2-amine.
What is the SMILES notation for N-[2-(2-methylpentoxy)propyl]butan-2-amine?
The canonical SMILES for N-[2-(2-methylpentoxy)propyl]butan-2-amine is CCCC(C)COC(C)CNC(C)CC.
What is the InChIKey of N-[2-(2-methylpentoxy)propyl]butan-2-amine?
The InChIKey is LAFXBRJCWQPQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-6-8-11(3)10-15-13(5)9-14-12(4)7-2/h11-14H,6-10H2,1-5H3.
What are the key properties of N-[2-(2-methylpentoxy)propyl]butan-2-amine?
N-[2-(2-methylpentoxy)propyl]butan-2-amine has a molecular weight of 215.38 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpentoxy)propyl]butan-2-amine is sourced from PubChem (CID 103285813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).