N-[(2-pentan-3-yloxolan-3-yl)methyl]propan-2-amine

C13H27NO — CID 79368733

IUPACN-[(2-pentan-3-yloxolan-3-yl)methyl]propan-2-amine
SMILESCCC(CC)C1OCCC1CNC(C)C
InChIInChI=1S/C13H27NO/c1-5-11(6-2)13-12(7-8-15-13)9-14-10(3)4/h10-14H,5-9H2,1-4H3
InChIKeyZCTADXBMUYXZKN-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds6

About N-[(2-pentan-3-yloxolan-3-yl)methyl]propan-2-amine

N-[(2-pentan-3-yloxolan-3-yl)methyl]propan-2-amine (PubChem CID 79368733) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-[(2-pentan-3-yloxolan-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-pentan-3-yloxolan-3-yl)methyl]propan-2-amine
PubChem CID79368733
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-[(2-pentan-3-yloxolan-3-yl)methyl]propan-2-amine
SMILESCCC(CC)C1OCCC1CNC(C)C
InChIInChI=1S/C13H27NO/c1-5-11(6-2)13-12(7-8-15-13)9-14-10(3)4/h10-14H,5-9H2,1-4H3
InChIKeyZCTADXBMUYXZKN-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-propan-2-yloxolan-3-yl)methyl]pentan-3-amine
CID 115726723
1-ethoxy-N-[(2-propan-2-yloxolan-3-yl)methyl]propan-2-amine
CID 115726718
N-[(2-butan-2-yloxolan-3-yl)methyl]cyclopropanamine
CID 79368548
2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butan-1-amine
CID 115887817
N-[(2-methyloxolan-3-yl)methyl]butan-2-amine
CID 79760229
4-methoxy-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]butan-2-amine
CID 128989924
1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128997473
N-[[2-(4-ethylphenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79367506
N-methyl-1-(2-pentan-2-yloxolan-3-yl)methanamine
CID 79368413
N-[(2-propan-2-yloxolan-3-yl)methyl]hex-5-en-2-amine
CID 104582900
1-cyclopropyl-N-[(2-propan-2-yloxan-3-yl)methyl]ethanamine;hydrochloride
CID 115683912
N-[(2-pentan-3-yl-4-propan-2-ylcyclohexyl)methyl]propan-2-amine
CID 81030520

Frequently Asked Questions

What is the IUPAC name of N-[(2-pentan-3-yloxolan-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2-pentan-3-yloxolan-3-yl)methyl]propan-2-amine (CID 79368733) is N-[(2-pentan-3-yloxolan-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-pentan-3-yloxolan-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-pentan-3-yloxolan-3-yl)methyl]propan-2-amine is CCC(CC)C1OCCC1CNC(C)C.
What is the InChIKey of N-[(2-pentan-3-yloxolan-3-yl)methyl]propan-2-amine?
The InChIKey is ZCTADXBMUYXZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-11(6-2)13-12(7-8-15-13)9-14-10(3)4/h10-14H,5-9H2,1-4H3.
What are the key properties of N-[(2-pentan-3-yloxolan-3-yl)methyl]propan-2-amine?
N-[(2-pentan-3-yloxolan-3-yl)methyl]propan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pentan-3-yloxolan-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 79368733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).