[1-[1-[4-(aminomethyl)-1-propan-2-ylpyrrolidin-3-yl]oxypropan-2-yl]pyrrolidin-3-yl]methanamine

C16H34N4O — CID 130204017

IUPAC[1-[1-[4-(aminomethyl)-1-propan-2-ylpyrrolidin-3-yl]oxypropan-2-yl]pyrrolidin-3-yl]methanamine
SMILESCC(C)N1CC(CN)C(OCC(C)N2CCC(CN)C2)C1
InChIInChI=1S/C16H34N4O/c1-12(2)20-9-15(7-18)16(10-20)21-11-13(3)19-5-4-14(6-17)8-19/h12-16H,4-11,17-18H2,1-3H3
InChIKeyBJFAMTVHOJHNEZ-UHFFFAOYSA-N
MW298.47 g/mol
LogP0.34
Rot. Bonds7

About [1-[1-[4-(aminomethyl)-1-propan-2-ylpyrrolidin-3-yl]oxypropan-2-yl]pyrrolidin-3-yl]methanamine

[1-[1-[4-(aminomethyl)-1-propan-2-ylpyrrolidin-3-yl]oxypropan-2-yl]pyrrolidin-3-yl]methanamine (PubChem CID 130204017) has the molecular formula C16H34N4O and a molecular weight of 298.47 g/mol. Its IUPAC name is [1-[1-[4-(aminomethyl)-1-propan-2-ylpyrrolidin-3-yl]oxypropan-2-yl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[1-[4-(aminomethyl)-1-propan-2-ylpyrrolidin-3-yl]oxypropan-2-yl]pyrrolidin-3-yl]methanamine
PubChem CID130204017
Molecular FormulaC16H34N4O
Molecular Weight298.47 g/mol
Exact Mass298.27
IUPAC Name[1-[1-[4-(aminomethyl)-1-propan-2-ylpyrrolidin-3-yl]oxypropan-2-yl]pyrrolidin-3-yl]methanamine
SMILESCC(C)N1CC(CN)C(OCC(C)N2CCC(CN)C2)C1
InChIInChI=1S/C16H34N4O/c1-12(2)20-9-15(7-18)16(10-20)21-11-13(3)19-5-4-14(6-17)8-19/h12-16H,4-11,17-18H2,1-3H3
InChIKeyBJFAMTVHOJHNEZ-UHFFFAOYSA-N
XLogP0.34
TPSA67.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[4-(aminomethyl)-1-propan-2-ylpyrrolidin-3-yl]oxypropan-2-yl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[1-[4-(aminomethyl)-1-propan-2-ylpyrrolidin-3-yl]oxypropan-2-yl]pyrrolidin-3-yl]methanamine (CID 130204017) is [1-[1-[4-(aminomethyl)-1-propan-2-ylpyrrolidin-3-yl]oxypropan-2-yl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[1-[4-(aminomethyl)-1-propan-2-ylpyrrolidin-3-yl]oxypropan-2-yl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[1-[4-(aminomethyl)-1-propan-2-ylpyrrolidin-3-yl]oxypropan-2-yl]pyrrolidin-3-yl]methanamine is CC(C)N1CC(CN)C(OCC(C)N2CCC(CN)C2)C1.
What is the InChIKey of [1-[1-[4-(aminomethyl)-1-propan-2-ylpyrrolidin-3-yl]oxypropan-2-yl]pyrrolidin-3-yl]methanamine?
The InChIKey is BJFAMTVHOJHNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-12(2)20-9-15(7-18)16(10-20)21-11-13(3)19-5-4-14(6-17)8-19/h12-16H,4-11,17-18H2,1-3H3.
What are the key properties of [1-[1-[4-(aminomethyl)-1-propan-2-ylpyrrolidin-3-yl]oxypropan-2-yl]pyrrolidin-3-yl]methanamine?
[1-[1-[4-(aminomethyl)-1-propan-2-ylpyrrolidin-3-yl]oxypropan-2-yl]pyrrolidin-3-yl]methanamine has a molecular weight of 298.47 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[4-(aminomethyl)-1-propan-2-ylpyrrolidin-3-yl]oxypropan-2-yl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 130204017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).