N-[(2-propan-2-yloxolan-3-yl)methyl]hex-5-en-2-amine

C14H27NO — CID 104582900

IUPACN-[(2-propan-2-yloxolan-3-yl)methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCC1CCOC1C(C)C
InChIInChI=1S/C14H27NO/c1-5-6-7-12(4)15-10-13-8-9-16-14(13)11(2)3/h5,11-15H,1,6-10H2,2-4H3
InChIKeyLLYOAFWHEPNGGJ-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.99
Rot. Bonds7

About N-[(2-propan-2-yloxolan-3-yl)methyl]hex-5-en-2-amine

N-[(2-propan-2-yloxolan-3-yl)methyl]hex-5-en-2-amine (PubChem CID 104582900) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[(2-propan-2-yloxolan-3-yl)methyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[(2-propan-2-yloxolan-3-yl)methyl]hex-5-en-2-amine
PubChem CID104582900
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-[(2-propan-2-yloxolan-3-yl)methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCC1CCOC1C(C)C
InChIInChI=1S/C14H27NO/c1-5-6-7-12(4)15-10-13-8-9-16-14(13)11(2)3/h5,11-15H,1,6-10H2,2-4H3
InChIKeyLLYOAFWHEPNGGJ-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]butan-2-amine
CID 128989924
1-ethoxy-N-[(2-propan-2-yloxolan-3-yl)methyl]propan-2-amine
CID 115726718
N-[(2-propan-2-yloxolan-3-yl)methyl]pentan-3-amine
CID 115726723
(2R)-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine
CID 129331874
N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine
CID 128999444
2-cyclopropyl-N-hex-5-en-2-yloxolan-3-amine
CID 104583626
N-hex-5-en-2-yloxan-4-amine
CID 104581845
N-[(2-pentan-3-yloxolan-3-yl)methyl]propan-2-amine
CID 79368733
N-hex-5-en-2-ylcyclopropanamine
CID 104581323
2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butan-1-amine
CID 115887817
N-[(1-ethylpiperidin-2-yl)methyl]hex-5-en-2-amine
CID 104582387
1-(1-cyclopropylpropan-2-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129006442

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yloxolan-3-yl)methyl]hex-5-en-2-amine?
The IUPAC name of N-[(2-propan-2-yloxolan-3-yl)methyl]hex-5-en-2-amine (CID 104582900) is N-[(2-propan-2-yloxolan-3-yl)methyl]hex-5-en-2-amine.
What is the SMILES notation for N-[(2-propan-2-yloxolan-3-yl)methyl]hex-5-en-2-amine?
The canonical SMILES for N-[(2-propan-2-yloxolan-3-yl)methyl]hex-5-en-2-amine is C=CCCC(C)NCC1CCOC1C(C)C.
What is the InChIKey of N-[(2-propan-2-yloxolan-3-yl)methyl]hex-5-en-2-amine?
The InChIKey is LLYOAFWHEPNGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-6-7-12(4)15-10-13-8-9-16-14(13)11(2)3/h5,11-15H,1,6-10H2,2-4H3.
What are the key properties of N-[(2-propan-2-yloxolan-3-yl)methyl]hex-5-en-2-amine?
N-[(2-propan-2-yloxolan-3-yl)methyl]hex-5-en-2-amine has a molecular weight of 225.38 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yloxolan-3-yl)methyl]hex-5-en-2-amine is sourced from PubChem (CID 104582900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).