N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine

C17H33N3O — CID 62392915

IUPACN-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN2CCN(C3CC3)CC2)CCOCC1
InChIInChI=1S/C17H33N3O/c1-15(2)18-13-17(5-11-21-12-6-17)14-19-7-9-20(10-8-19)16-3-4-16/h15-16,18H,3-14H2,1-2H3
InChIKeyGVPYXVPJUQBNEY-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.56
Rot. Bonds6

About N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine

N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine (PubChem CID 62392915) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
PubChem CID62392915
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN2CCN(C3CC3)CC2)CCOCC1
InChIInChI=1S/C17H33N3O/c1-15(2)18-13-17(5-11-21-12-6-17)14-19-7-9-20(10-8-19)16-3-4-16/h15-16,18H,3-14H2,1-2H3
InChIKeyGVPYXVPJUQBNEY-UHFFFAOYSA-N
XLogP1.56
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 55066136
N-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62258098
3-methyl-1-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]piperidin-4-ol
CID 114682037
N-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)oxan-3-yl]methyl]propan-2-amine
CID 79934366
N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propan-2-amine
CID 171756110
N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 55249798
N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]propan-2-amine
CID 63740811
4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-amine
CID 115295408
N-[[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 107395205
N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 63003825
N-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxan-4-yl]methyl]propan-2-amine
CID 82753263
N-[(4-ethyloxan-4-yl)methyl]propan-2-amine
CID 62905554

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine (CID 62392915) is N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine is CC(C)NCC1(CN2CCN(C3CC3)CC2)CCOCC1.
What is the InChIKey of N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine?
The InChIKey is GVPYXVPJUQBNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-15(2)18-13-17(5-11-21-12-6-17)14-19-7-9-20(10-8-19)16-3-4-16/h15-16,18H,3-14H2,1-2H3.
What are the key properties of N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine?
N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine has a molecular weight of 295.47 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62392915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).