N,2,3-trimethyl-4-propan-2-yloxybutan-1-amine

C10H23NO — CID 81015668

IUPACN,2,3-trimethyl-4-propan-2-yloxybutan-1-amine
SMILESCNCC(C)C(C)COC(C)C
InChIInChI=1S/C10H23NO/c1-8(2)12-7-10(4)9(3)6-11-5/h8-11H,6-7H2,1-5H3
InChIKeyYJPSPFJZAGFBDN-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.90
Rot. Bonds6

About N,2,3-trimethyl-4-propan-2-yloxybutan-1-amine

N,2,3-trimethyl-4-propan-2-yloxybutan-1-amine (PubChem CID 81015668) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is N,2,3-trimethyl-4-propan-2-yloxybutan-1-amine.

Molecular Properties

Compound NameN,2,3-trimethyl-4-propan-2-yloxybutan-1-amine
PubChem CID81015668
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC NameN,2,3-trimethyl-4-propan-2-yloxybutan-1-amine
SMILESCNCC(C)C(C)COC(C)C
InChIInChI=1S/C10H23NO/c1-8(2)12-7-10(4)9(3)6-11-5/h8-11H,6-7H2,1-5H3
InChIKeyYJPSPFJZAGFBDN-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-4-propan-2-yloxybutan-1-amine?
The IUPAC name of N,2,3-trimethyl-4-propan-2-yloxybutan-1-amine (CID 81015668) is N,2,3-trimethyl-4-propan-2-yloxybutan-1-amine.
What is the SMILES notation for N,2,3-trimethyl-4-propan-2-yloxybutan-1-amine?
The canonical SMILES for N,2,3-trimethyl-4-propan-2-yloxybutan-1-amine is CNCC(C)C(C)COC(C)C.
What is the InChIKey of N,2,3-trimethyl-4-propan-2-yloxybutan-1-amine?
The InChIKey is YJPSPFJZAGFBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-8(2)12-7-10(4)9(3)6-11-5/h8-11H,6-7H2,1-5H3.
What are the key properties of N,2,3-trimethyl-4-propan-2-yloxybutan-1-amine?
N,2,3-trimethyl-4-propan-2-yloxybutan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-4-propan-2-yloxybutan-1-amine is sourced from PubChem (CID 81015668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).