N-(3-methyl-2-propan-2-ylbutyl)-2-propyloxan-4-amine

C16H33NO — CID 102904715

IUPACN-(3-methyl-2-propan-2-ylbutyl)-2-propyloxan-4-amine
SMILESCCCC1CC(NCC(C(C)C)C(C)C)CCO1
InChIInChI=1S/C16H33NO/c1-6-7-15-10-14(8-9-18-15)17-11-16(12(2)3)13(4)5/h12-17H,6-11H2,1-5H3
InChIKeyGKSRZMQNBBUPNW-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.85
Rot. Bonds7

About N-(3-methyl-2-propan-2-ylbutyl)-2-propyloxan-4-amine

N-(3-methyl-2-propan-2-ylbutyl)-2-propyloxan-4-amine (PubChem CID 102904715) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)-2-propyloxan-4-amine.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)-2-propyloxan-4-amine
PubChem CID102904715
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)-2-propyloxan-4-amine
SMILESCCCC1CC(NCC(C(C)C)C(C)C)CCO1
InChIInChI=1S/C16H33NO/c1-6-7-15-10-14(8-9-18-15)17-11-16(12(2)3)13(4)5/h12-17H,6-11H2,1-5H3
InChIKeyGKSRZMQNBBUPNW-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-(3-methyl-2-propan-2-ylbutyl)-2-propyloxan-4-amine?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-2-propyloxan-4-amine (CID 102904715) is N-(3-methyl-2-propan-2-ylbutyl)-2-propyloxan-4-amine.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)-2-propyloxan-4-amine?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)-2-propyloxan-4-amine is CCCC1CC(NCC(C(C)C)C(C)C)CCO1.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)-2-propyloxan-4-amine?
The InChIKey is GKSRZMQNBBUPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-6-7-15-10-14(8-9-18-15)17-11-16(12(2)3)13(4)5/h12-17H,6-11H2,1-5H3.
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)-2-propyloxan-4-amine?
N-(3-methyl-2-propan-2-ylbutyl)-2-propyloxan-4-amine has a molecular weight of 255.45 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)-2-propyloxan-4-amine is sourced from PubChem (CID 102904715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).