N-[2,3-dimethyl-4-(2,2,3-trimethylbutoxy)butan-2-yl]cyclopropanamine

C16H33NO — CID 146244500

IUPACN-[2,3-dimethyl-4-(2,2,3-trimethylbutoxy)butan-2-yl]cyclopropanamine
SMILESCC(C)C(C)(C)COCC(C)C(C)(C)NC1CC1
InChIInChI=1S/C16H33NO/c1-12(2)15(4,5)11-18-10-13(3)16(6,7)17-14-8-9-14/h12-14,17H,8-11H2,1-7H3
InChIKeyURGQPVDEESWXPG-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.85
Rot. Bonds8

About N-[2,3-dimethyl-4-(2,2,3-trimethylbutoxy)butan-2-yl]cyclopropanamine

N-[2,3-dimethyl-4-(2,2,3-trimethylbutoxy)butan-2-yl]cyclopropanamine (PubChem CID 146244500) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-[2,3-dimethyl-4-(2,2,3-trimethylbutoxy)butan-2-yl]cyclopropanamine.

Molecular Properties

Compound NameN-[2,3-dimethyl-4-(2,2,3-trimethylbutoxy)butan-2-yl]cyclopropanamine
PubChem CID146244500
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-[2,3-dimethyl-4-(2,2,3-trimethylbutoxy)butan-2-yl]cyclopropanamine
SMILESCC(C)C(C)(C)COCC(C)C(C)(C)NC1CC1
InChIInChI=1S/C16H33NO/c1-12(2)15(4,5)11-18-10-13(3)16(6,7)17-14-8-9-14/h12-14,17H,8-11H2,1-7H3
InChIKeyURGQPVDEESWXPG-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-dimethyl-4-(2,2,3-trimethylbutoxy)butan-2-yl]cyclopropanamine?
The IUPAC name of N-[2,3-dimethyl-4-(2,2,3-trimethylbutoxy)butan-2-yl]cyclopropanamine (CID 146244500) is N-[2,3-dimethyl-4-(2,2,3-trimethylbutoxy)butan-2-yl]cyclopropanamine.
What is the SMILES notation for N-[2,3-dimethyl-4-(2,2,3-trimethylbutoxy)butan-2-yl]cyclopropanamine?
The canonical SMILES for N-[2,3-dimethyl-4-(2,2,3-trimethylbutoxy)butan-2-yl]cyclopropanamine is CC(C)C(C)(C)COCC(C)C(C)(C)NC1CC1.
What is the InChIKey of N-[2,3-dimethyl-4-(2,2,3-trimethylbutoxy)butan-2-yl]cyclopropanamine?
The InChIKey is URGQPVDEESWXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-12(2)15(4,5)11-18-10-13(3)16(6,7)17-14-8-9-14/h12-14,17H,8-11H2,1-7H3.
What are the key properties of N-[2,3-dimethyl-4-(2,2,3-trimethylbutoxy)butan-2-yl]cyclopropanamine?
N-[2,3-dimethyl-4-(2,2,3-trimethylbutoxy)butan-2-yl]cyclopropanamine has a molecular weight of 255.45 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dimethyl-4-(2,2,3-trimethylbutoxy)butan-2-yl]cyclopropanamine is sourced from PubChem (CID 146244500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).